[1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-(m-tolyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone CAS Name: [1-(3-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-(m-tolyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Formula: C26H27N5O MolecularWeight: 425.52548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C26H27N5O/c1-21-8-7-11-23(18-21)31-25(29-12-5-6-13-29)24(19-27-31)26(32)30-16-14-28(15-17-30)20-22-9-3-2-4-10-22/h2-13,18-19H,14-17,20H2,1H3