N-[2-[butyl(ethyl)amino]ethyl]-2-(4-chlorophenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[2-[butyl(ethyl)amino]ethyl]-2-(4-chlorophenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[2-[butyl(ethyl)amino]ethyl]-2-(4-chlorophenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[2-[butyl(ethyl)amino]ethyl]-2-(4-chlorophenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[2-[butyl(ethyl)amino]ethyl]-2-(4-chlorophenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[2-[butyl(ethyl)amino]ethyl]-2-(4-chlorophenyl)-1-keto-isoquinoline-4-carboxamide Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)CCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN(CC)CCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H28ClN3O2/c1-3-5-15-27(4-2)16-14-26-23(29)22-17-28(19-12-10-18(25)11-13-19)24(30)21-9-7-6-8-20(21)22/h6-13,17H,3-5,14-16H2,1-2H3,(H,26,29)