R4I
Summary
| Name: | (8~{S})-6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)-2-oxidanylidene-8-propyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile |
| Formula: | C29 H30 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 466.574 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (8~{S})-6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)-2-oxidanylidene-8-propyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H30N4O2/c1-3-6-22-16-32(18-26(34)33-14-13-20-7-4-5-8-25(20)33)17-24-27(21-11-9-19(2)10-12-21)23(15-30)29(35)31-28(22)24/h4-5,7-12,22H,3,6,13-14,16-18H2,1-2H3,(H,31,35)/t22-/m0/s1 |
| InChIKey | InChI | 1.06 | TVUOEVCKUGISBU-QFIPXVFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@H]1CN(CC(=O)N2CCc3ccccc23)CC4=C1NC(=O)C(=C4c5ccc(C)cc5)C#N |
| SMILES | CACTVS | 3.385 | CCC[CH]1CN(CC(=O)N2CCc3ccccc23)CC4=C1NC(=O)C(=C4c5ccc(C)cc5)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@H]1CN(CC2=C1NC(=O)C(=C2c3ccc(cc3)C)C#N)CC(=O)N4CCc5c4cccc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC1CN(CC2=C1NC(=O)C(=C2c3ccc(cc3)C)C#N)CC(=O)N4CCc5c4cccc5 |
