8-phenyl-2-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile

Systemtic Name: 8-phenyl-2-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile Openeye Name: 8-phenyl-2-propyl-6-[4-(2-pyridyl)piperazin-1-yl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile CAS Name: 8-phenyl-2-propyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile IUPAC Name: 8-phenyl-2-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile Traditional Name: 8-phenyl-2-propyl-6-[4-(2-pyridyl)piperazino]-3,4-dihydro-1H-isoquinoline-5-carbonitrile Formula: C28H31N5 MolecularWeight: 437.57924

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC2=C(C1)C(=CC(=C2C#N)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CCCN1CCC2=C(C1)C(=CC(=C2C#N)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N5/c1-2-13-31-14-11-23-25(20-29)27(19-24(26(23)21-31)22-8-4-3-5-9-22)32-15-17-33(18-16-32)28-10-6-7-12-30-28/h3-10,12,19H,2,11,13-18,21H2,1H3