4-[4-isoquinolin-1-yl-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-isoquinolin-1-yl-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(1-isoquinolyl)-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(1-isoquinolinyl)-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-isoquinolin-1-yl-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(1-isoquinolyl)-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile Formula: C31H29N5O MolecularWeight: 487.59486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC1CC3CN(CCN3C(=O)C4=CC=C(C=C4)C#N)C5=NC=CC6=CC=CC=C65

Isomeric SMILES

C1CC2=CC=CC=C2NC1CC3CN(CCN3C(=O)C4=CC=C(C=C4)C#N)C5=NC=CC6=CC=CC=C65

InChI

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