1-[[2-cyclopropyl-3-(3-methylphenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-3-carboxamide

Systemtic Name: 1-[[2-cyclopropyl-3-(3-methylphenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-3-carboxamide Openeye Name: 1-[2-cyclopropyl-3-(m-tolyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-3-carboxamide CAS Name: 1-[[2-cyclopropyl-3-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-cyclopropyl-3-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-3-carboxamide Traditional Name: 1-[2-cyclopropyl-1-keto-3-(m-tolyl)-3,4-dihydroisoquinoline-4-carbonyl]nipecotamide Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(C3=CC=CC=C3C(=O)N2C4CC4)C(=O)N5CCCC(C5)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C2C(C3=CC=CC=C3C(=O)N2C4CC4)C(=O)N5CCCC(C5)C(=O)N

InChI

InChI=1S/C26H29N3O3/c1-16-6-4-7-17(14-16)23-22(26(32)28-13-5-8-18(15-28)24(27)30)20-9-2-3-10-21(20)25(31)29(23)19-11-12-19/h2-4,6-7,9-10,14,18-19,22-23H,5,8,11-13,15H2,1H3,(H2,27,30)