N-[3-[4-(5-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]isoquinoline-1-carboxamide

Systemtic Name: N-[3-[4-(5-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]isoquinoline-1-carboxamide Openeye Name: N-[3-[4-(5-cyano-1H-indol-3-yl)-1-piperidyl]propyl]isoquinoline-1-carboxamide CAS Name: N-[3-[4-(5-cyano-1H-indol-3-yl)-1-piperidinyl]propyl]-1-isoquinolinecarboxamide IUPAC Name: N-[3-[4-(5-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]isoquinoline-1-carboxamide Traditional Name: N-[3-[4-(5-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=C2C=C(C=C3)C#N)CCCNC(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C2=CNC3=C2C=C(C=C3)C#N)CCCNC(=O)C4=NC=CC5=CC=CC=C54

InChI

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