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

Systemtic Name: 1-(2-ethylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 2-(4-benzylpiperazine-1-carbonyl)-1-(2-ethylphenyl)pyrrole-3-carbonitrile CAS Name: 1-(2-ethylphenyl)-2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-pyrrolecarbonitrile IUPAC Name: 2-(4-benzylpiperazine-1-carbonyl)-1-(2-ethylphenyl)pyrrole-3-carbonitrile Traditional Name: 2-(4-benzylpiperazine-1-carbonyl)-1-(2-ethylphenyl)pyrrole-3-carbonitrile Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C=CC(=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CCC1=CC=CC=C1N2C=CC(=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H26N4O/c1-2-21-10-6-7-11-23(21)29-13-12-22(18-26)24(29)25(30)28-16-14-27(15-17-28)19-20-8-4-3-5-9-20/h3-13H,2,14-17,19H2,1H3