A1IPD
Summary
| Name: | N-(1-(3,4-dichlorobenzyl)-6-oxo-1,6-dihydropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide |
| Synonyms: | (2S)-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide |
| Formula: | C17 H15 Cl2 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 380.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-[1-[(3,4-dichlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H15Cl2N3O3/c18-12-3-1-10(7-13(12)19)8-22-9-11(2-6-16(22)24)20-17(25)14-4-5-15(23)21-14/h1-3,6-7,9,14H,4-5,8H2,(H,20,25)(H,21,23)/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | JMWNXVYWXDVAAF-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CN2C=C(NC(=O)[C@@H]3CCC(=O)N3)C=CC2=O)cc1Cl |
| SMILES | CACTVS | 3.385 | Clc1ccc(CN2C=C(NC(=O)[CH]3CCC(=O)N3)C=CC2=O)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CN2C=C(C=CC2=O)NC(=O)[C@@H]3CCC(=O)N3)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CN2C=C(C=CC2=O)NC(=O)C3CCC(=O)N3)Cl)Cl |
