N-[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(3S)-5-oxo-1-(p-tolyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(3S)-5-keto-1-(p-tolyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H23N3O2/c1-15-6-8-19(9-7-15)24-14-18(12-20(24)25)22-21(26)23-11-10-16-4-2-3-5-17(16)13-23/h2-9,18H,10-14H2,1H3,(H,22,26)/t18-/m0/s1