2-(4-chlorophenyl)-1-oxidanylidene-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-1-oxidanylidene-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-1-oxo-N-[2-(1-pyrrolidinyl)ethyl]-4-isoquinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-1-keto-N-(2-pyrrolidinoethyl)isoquinoline-4-carboxamide Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)CCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O2/c23-16-7-9-17(10-8-16)26-15-20(18-5-1-2-6-19(18)22(26)28)21(27)24-11-14-25-12-3-4-13-25/h1-2,5-10,15H,3-4,11-14H2,(H,24,27)