1-(3-chloranyl-2-methyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 2-(4-benzylpiperazine-1-carbonyl)-1-(3-chloro-2-methyl-phenyl)pyrrole-3-carbonitrile CAS Name: 1-(3-chloro-2-methylphenyl)-2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-pyrrolecarbonitrile IUPAC Name: 2-(4-benzylpiperazine-1-carbonyl)-1-(3-chloro-2-methylphenyl)pyrrole-3-carbonitrile Traditional Name: 2-(4-benzylpiperazine-1-carbonyl)-1-(3-chloro-2-methyl-phenyl)pyrrole-3-carbonitrile Formula: C24H23ClN4O MolecularWeight: 418.91862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CC(=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CC(=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H23ClN4O/c1-18-21(25)8-5-9-22(18)29-11-10-20(16-26)23(29)24(30)28-14-12-27(13-15-28)17-19-6-3-2-4-7-19/h2-11H,12-15,17H2,1H3