PWV
Summary
| Name: | 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile |
| Formula: | C18 H15 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 354.79 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | 5-[[(1~{S})-1-(6-chloranyl-2-oxidanylidene-1~{H}-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxidanylidene-pyridine-2-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(=Cc2c(N1)ccc(c2)Cl)C(NC=3C(N(C(=CC=3)C#N)C)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | NEQYWYXGTJDAKR-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC1=CC=C(C#N)N(C)C1=O)C2=Cc3cc(Cl)ccc3NC2=O |
| SMILES | CACTVS | 3.385 | C[CH](NC1=CC=C(C#N)N(C)C1=O)C2=Cc3cc(Cl)ccc3NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N |
