N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[2-(2-chlorophenyl)-2-pyrrolidino-ethyl]-1-keto-2H-isoquinoline-3-carboxamide Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC3=CC=CC=C3C(=O)N2)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC3=CC=CC=C3C(=O)N2)C4=CC=CC=C4Cl

InChI

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