2-butyl-3-(3-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-butyl-3-(3-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-butyl-3-(3-chlorophenyl)-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-butyl-3-(3-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-butyl-3-(3-chlorophenyl)-1-keto-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H34ClN3O2 MolecularWeight: 468.03076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCC3CCCN3C)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCC3CCCN3C)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H34ClN3O2/c1-3-4-17-31-25(19-9-7-10-20(28)18-19)24(22-12-5-6-13-23(22)27(31)33)26(32)29-15-14-21-11-8-16-30(21)2/h5-7,9-10,12-13,18,21,24-25H,3-4,8,11,14-17H2,1-2H3,(H,29,32)