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

Systemtic Name: 1-(4-nitrophenyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(4-benzoylpiperazin-1-yl)-1-(4-nitrophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(4-benzoyl-1-piperazinyl)-1-(4-nitrophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-1-(4-nitrophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(4-benzoylpiperazino)-1-(4-nitrophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C27H25N5O3 MolecularWeight: 467.5191

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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=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O3/c28-18-24-22-8-4-5-9-23(22)25(19-10-12-21(13-11-19)32(34)35)29-26(24)30-14-16-31(17-15-30)27(33)20-6-2-1-3-7-20/h1-3,6-7,10-13H,4-5,8-9,14-17H2