6-[4-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]phenyl]-5-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-[4-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]phenyl]-5-phenyl-pyridine-3-carbonitrile Openeye Name: 6-[4-[[4-(1-isoquinolyl)piperazin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carbonitrile CAS Name: 6-[4-[[4-(1-isoquinolinyl)-1-piperazinyl]methyl]phenyl]-5-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-[4-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]phenyl]-5-phenylpyridine-3-carbonitrile Traditional Name: 6-[4-[[4-(1-isoquinolyl)piperazino]methyl]phenyl]-5-phenyl-nicotinonitrile Formula: C32H27N5 MolecularWeight: 481.59028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C3=C(C=C(C=N3)C#N)C4=CC=CC=C4)C5=NC=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=C(C=C(C=N3)C#N)C4=CC=CC=C4)C5=NC=CC6=CC=CC=C65

InChI

InChI=1S/C32H27N5/c33-21-25-20-30(26-6-2-1-3-7-26)31(35-22-25)28-12-10-24(11-13-28)23-36-16-18-37(19-17-36)32-29-9-5-4-8-27(29)14-15-34-32/h1-15,20,22H,16-19,23H2