3-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(4-p-anisoylpiperazino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=C4CCCCC4=C3C#N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=C4CCCCC4=C3C#N)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-34-22-13-11-21(12-14-22)28(33)32-17-15-31(16-18-32)27-25(19-29)23-9-5-6-10-24(23)26(30-27)20-7-3-2-4-8-20/h2-4,7-8,11-14H,5-6,9-10,15-18H2,1H3