(3S)-N-(5-chloranyl-2-methyl-phenyl)-1-[(1S)-cyclohexa-2,4-dien-1-yl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(5-chloranyl-2-methyl-phenyl)-1-[(1S)-cyclohexa-2,4-dien-1-yl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(5-chloro-2-methyl-phenyl)-1-[(1S)-cyclohexa-2,4-dien-1-yl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(5-chloro-2-methylphenyl)-1-[(1S)-1-cyclohexa-2,4-dienyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(5-chloro-2-methylphenyl)-1-[(1S)-cyclohexa-2,4-dien-1-yl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(5-chloro-2-methyl-phenyl)-1-[(1S)-cyclohexa-2,4-dien-1-yl]-5-keto-pyrrolidine-3-carboxamide Formula: C18H19ClN2O2 MolecularWeight: 330.80866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C2CC(=O)N(C2)C3CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)[C@H]2CC(=O)N(C2)[C@H]3CC=CC=C3

InChI

InChI=1S/C18H19ClN2O2/c1-12-7-8-14(19)10-16(12)20-18(23)13-9-17(22)21(11-13)15-5-3-2-4-6-15/h2-5,7-8,10,13,15H,6,9,11H2,1H3,(H,20,23)/t13-,15+/m0/s1