2-butyl-3-(3-chlorophenyl)-1-oxidanylidene-N-prop-2-ynyl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-1-oxidanylidene-N-prop-2-ynyl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-butyl-3-(3-chlorophenyl)-1-oxo-N-prop-2-ynyl-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-butyl-3-(3-chlorophenyl)-1-oxo-N-prop-2-ynyl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-butyl-3-(3-chlorophenyl)-1-oxo-N-prop-2-ynyl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-butyl-3-(3-chlorophenyl)-1-keto-N-propargyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C23H23ClN2O2 MolecularWeight: 394.89392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC#C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC#C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H23ClN2O2/c1-3-5-14-26-21(16-9-8-10-17(24)15-16)20(22(27)25-13-4-2)18-11-6-7-12-19(18)23(26)28/h2,6-12,15,20-21H,3,5,13-14H2,1H3,(H,25,27)