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

Systemtic Name: 1-(4-methoxyphenyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(4-benzoylpiperazin-1-yl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(4-benzoyl-1-piperazinyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(4-benzoylpiperazino)-1-(4-methoxyphenyl)-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)C2=C3CCCCC3=C(C(=N2)N4CCN(CC4)C(=O)C5=CC=CC=C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)N4CCN(CC4)C(=O)C5=CC=CC=C5)C#N

InChI

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