(3S)-2-[3-[(3-chlorophenyl)amino]-3-oxidanylidene-propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[3-[(3-chlorophenyl)amino]-3-oxidanylidene-propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[3-(3-chloroanilino)-3-oxo-propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[3-(3-chloroanilino)-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[3-(3-chloroanilino)-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[3-(3-chloroanilino)-3-keto-propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H20ClN3O2 MolecularWeight: 357.834

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CCC(=O)NC3=CC(=CC=C3)Cl)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)CCC(=O)NC3=CC(=CC=C3)Cl)C(=O)N

InChI

InChI=1S/C19H20ClN3O2/c20-15-6-3-7-16(11-15)22-18(24)8-9-23-12-14-5-2-1-4-13(14)10-17(23)19(21)25/h1-7,11,17H,8-10,12H2,(H2,21,25)(H,22,24)/t17-/m0/s1