1-(1-benzofuran-2-yl)-3-[4-(phenylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-(1-benzofuran-2-yl)-3-[4-(phenylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-(benzofuran-2-yl)-3-(4-benzoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(2-benzofuranyl)-3-(4-benzoyl-1-piperazinyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-(1-benzofuran-2-yl)-3-(4-benzoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-(benzofuran-2-yl)-3-(4-benzoylpiperazino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C29H26N4O2 MolecularWeight: 462.54234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4)C5=CC6=CC=CC=C6O5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C29H26N4O2/c30-19-24-22-11-5-6-12-23(22)27(26-18-21-10-4-7-13-25(21)35-26)31-28(24)32-14-16-33(17-15-32)29(34)20-8-2-1-3-9-20/h1-4,7-10,13,18H,5-6,11-12,14-17H2