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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-1-(3-methylphenyl)pyrrole-3-carbonitrile Openeye Name: 2-(4-benzhydrylpiperazine-1-carbonyl)-1-(m-tolyl)pyrrole-3-carbonitrile CAS Name: 2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-1-(3-methylphenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-(4-benzhydrylpiperazine-1-carbonyl)-1-(3-methylphenyl)pyrrole-3-carbonitrile Traditional Name: 2-(4-benzhydrylpiperazine-1-carbonyl)-1-(m-tolyl)pyrrole-3-carbonitrile Formula: C30H28N4O MolecularWeight: 460.56952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N4O/c1-23-9-8-14-27(21-23)34-16-15-26(22-31)29(34)30(35)33-19-17-32(18-20-33)28(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-16,21,28H,17-20H2,1H3