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

Systemtic Name: 8-(1-benzofuran-2-yl)-2-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile Openeye Name: 8-(benzofuran-2-yl)-2-propyl-6-[4-(2-pyridyl)piperazin-1-yl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile CAS Name: 8-(2-benzofuranyl)-2-propyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile IUPAC Name: 8-(1-benzofuran-2-yl)-2-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile Traditional Name: 8-(benzofuran-2-yl)-2-propyl-6-[4-(2-pyridyl)piperazino]-3,4-dihydro-1H-isoquinoline-5-carbonitrile Formula: C30H31N5O MolecularWeight: 477.60004

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC2=C(C1)C(=CC(=C2C#N)N3CCN(CC3)C4=CC=CC=N4)C5=CC6=CC=CC=C6O5

Isomeric SMILES

CCCN1CCC2=C(C1)C(=CC(=C2C#N)N3CCN(CC3)C4=CC=CC=N4)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C30H31N5O/c1-2-12-33-13-10-23-25(20-31)27(34-14-16-35(17-15-34)30-9-5-6-11-32-30)19-24(26(23)21-33)29-18-22-7-3-4-8-28(22)36-29/h3-9,11,18-19H,2,10,12-17,21H2,1H3