C4Y
Summary
| Name: | 1-(4-aminobenzyl)-3-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}urea |
| Formula: | C20 H24 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 352.43 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-aminobenzyl)-3-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}urea |
| OpenEye OEToolkits | 1.9.2 | 1-[(4-aminophenyl)methyl]-3-[2-oxidanylidene-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(Cc1ccc(cc1)N)C(=O)NCC(=O)N2CCCC2c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C20H24N4O2/c21-17-10-8-15(9-11-17)13-22-20(26)23-14-19(25)24-12-4-7-18(24)16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-14,21H2,(H2,22,23,26)/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | DBVKUBKWQMJAPI-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@@H]2c3ccccc3)cc1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(CNC(=O)NCC(=O)N2CCC[CH]2c3ccccc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N |
