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

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-1-oxidanylidene-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-butyl-3-(3-chlorophenyl)-1-oxo-N-(2-pyridylmethyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-butyl-3-(3-chlorophenyl)-1-oxo-N-(2-pyridinylmethyl)-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-butyl-3-(3-chlorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-butyl-3-(3-chlorophenyl)-1-keto-N-(2-pyridylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C26H26ClN3O2 MolecularWeight: 447.95654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=CC=N3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=CC=N3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H26ClN3O2/c1-2-3-15-30-24(18-9-8-10-19(27)16-18)23(21-12-4-5-13-22(21)26(30)32)25(31)29-17-20-11-6-7-14-28-20/h4-14,16,23-24H,2-3,15,17H2,1H3,(H,29,31)