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

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-butyl-3-(3-chlorophenyl)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-butyl-3-(3-chlorophenyl)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-butyl-3-(3-chlorophenyl)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-butyl-3-(3-chlorophenyl)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-keto-3,4-dihydroisoquinoline-4-carboxamide Formula: C25H29ClN2O4 MolecularWeight: 456.96176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCC3OCCO3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCC3OCCO3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H29ClN2O4/c1-2-3-13-28-23(17-7-6-8-18(26)16-17)22(19-9-4-5-10-20(19)25(28)30)24(29)27-12-11-21-31-14-15-32-21/h4-10,16,21-23H,2-3,11-15H2,1H3,(H,27,29)