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

Systemtic Name: 1-[[2-butyl-3-(3-chlorophenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-3-carboxamide Openeye Name: 1-[2-butyl-3-(3-chlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-3-carboxamide CAS Name: 1-[[2-butyl-3-(3-chlorophenyl)-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-butyl-3-(3-chlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-3-carboxamide Traditional Name: 1-[2-butyl-3-(3-chlorophenyl)-1-keto-3,4-dihydroisoquinoline-4-carbonyl]nipecotamide Formula: C26H30ClN3O3 MolecularWeight: 467.9877

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCC(C3)C(=O)N)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCC(C3)C(=O)N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H30ClN3O3/c1-2-3-14-30-23(17-8-6-10-19(27)15-17)22(20-11-4-5-12-21(20)25(30)32)26(33)29-13-7-9-18(16-29)24(28)31/h4-6,8,10-12,15,18,22-23H,2-3,7,9,13-14,16H2,1H3,(H2,28,31)