1-(2,3-dimethylphenyl)-2-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(2,3-dimethylphenyl)-2-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 2-(4-benzhydrylpiperazine-1-carbonyl)-1-(2,3-dimethylphenyl)pyrrole-3-carbonitrile CAS Name: 1-(2,3-dimethylphenyl)-2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-3-pyrrolecarbonitrile IUPAC Name: 2-(4-benzhydrylpiperazine-1-carbonyl)-1-(2,3-dimethylphenyl)pyrrole-3-carbonitrile Traditional Name: 2-(4-benzhydrylpiperazine-1-carbonyl)-1-(2,3-dimethylphenyl)pyrrole-3-carbonitrile Formula: C31H30N4O MolecularWeight: 474.5961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CC(=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CC(=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N)C

InChI

InChI=1S/C31H30N4O/c1-23-10-9-15-28(24(23)2)35-17-16-27(22-32)30(35)31(36)34-20-18-33(19-21-34)29(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-17,29H,18-21H2,1-2H3