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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

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