N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]isoquinoline-1-carboxamide

Systemtic Name: N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]isoquinoline-1-carboxamide Openeye Name: N-[3-[4-(4-cyano-1H-indol-3-yl)-1-piperidyl]propyl]isoquinoline-1-carboxamide CAS Name: N-[3-[4-(4-cyano-1H-indol-3-yl)-1-piperidinyl]propyl]-1-isoquinolinecarboxamide IUPAC Name: N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]isoquinoline-1-carboxamide Traditional Name: N-[3-[4-(4-cyano-1H-indol-3-yl)piperidino]propyl]isoquinoline-1-carboxamide Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CNC3=CC=CC(=C32)C#N)CCCNC(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C2=CNC3=CC=CC(=C32)C#N)CCCNC(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C27H27N5O/c28-17-21-6-3-8-24-25(21)23(18-31-24)20-10-15-32(16-11-20)14-4-12-30-27(33)26-22-7-2-1-5-19(22)9-13-29-26/h1-3,5-9,13,18,20,31H,4,10-12,14-16H2,(H,30,33)