2-butyl-3-(3-chlorophenyl)-1-oxidanylidene-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-1-oxidanylidene-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-butyl-3-(3-chlorophenyl)-1-oxo-N-[2-(2-pyridyl)ethyl]-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-butyl-3-(3-chlorophenyl)-1-oxo-N-[2-(2-pyridinyl)ethyl]-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-butyl-3-(3-chlorophenyl)-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-butyl-3-(3-chlorophenyl)-1-keto-N-[2-(2-pyridyl)ethyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H28ClN3O2 MolecularWeight: 461.98312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCC3=CC=CC=N3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCC3=CC=CC=N3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H28ClN3O2/c1-2-3-17-31-25(19-9-8-10-20(28)18-19)24(22-12-4-5-13-23(22)27(31)33)26(32)30-16-14-21-11-6-7-15-29-21/h4-13,15,18,24-25H,2-3,14,16-17H2,1H3,(H,30,32)