4-[[2-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[2-[[4-(1-isoquinolyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinoline-1-carbonyl]benzonitrile CAS Name: 4-[[2-[[4-(1-isoquinolinyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[2-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinoline-1-carbonyl]benzonitrile Traditional Name: 4-[2-[[4-(1-isoquinolyl)piperazino]methyl]-3,4-dihydro-2H-quinoline-1-carbonyl]benzonitrile Formula: C31H29N5O MolecularWeight: 487.59486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1CN3CCN(CC3)C4=NC=CC5=CC=CC=C54)C(=O)C6=CC=C(C=C6)C#N

Isomeric SMILES

C1CC2=CC=CC=C2N(C1CN3CCN(CC3)C4=NC=CC5=CC=CC=C54)C(=O)C6=CC=C(C=C6)C#N

InChI

InChI=1S/C31H29N5O/c32-21-23-9-11-26(12-10-23)31(37)36-27(14-13-25-6-2-4-8-29(25)36)22-34-17-19-35(20-18-34)30-28-7-3-1-5-24(28)15-16-33-30/h1-12,15-16,27H,13-14,17-20,22H2