1-(2-methoxyphenyl)-2-(2-nitrophenyl)-4-(3-phenylpropyl)piperazine-2-carbonitrile

Systemtic Name: 1-(2-methoxyphenyl)-2-(2-nitrophenyl)-4-(3-phenylpropyl)piperazine-2-carbonitrile Openeye Name: 1-(2-methoxyphenyl)-2-(2-nitrophenyl)-4-(3-phenylpropyl)piperazine-2-carbonitrile CAS Name: 1-(2-methoxyphenyl)-2-(2-nitrophenyl)-4-(3-phenylpropyl)-2-piperazinecarbonitrile IUPAC Name: 1-(2-methoxyphenyl)-2-(2-nitrophenyl)-4-(3-phenylpropyl)piperazine-2-carbonitrile Traditional Name: 1-(2-methoxyphenyl)-2-(2-nitrophenyl)-4-(3-phenylpropyl)piperazine-2-carbonitrile Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2(C#N)C3=CC=CC=C3[N+](=O)[O-])CCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2(C#N)C3=CC=CC=C3[N+](=O)[O-])CCCC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O3/c1-34-26-16-8-7-15-25(26)30-19-18-29(17-9-12-22-10-3-2-4-11-22)21-27(30,20-28)23-13-5-6-14-24(23)31(32)33/h2-8,10-11,13-16H,9,12,17-19,21H2,1H3