[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone Openeye Name: [1-(4-nitrophenyl)pyrazol-4-yl]-[4-(o-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazinyl]-[1-(4-nitrophenyl)-4-pyrazolyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone Traditional Name: [4-(2-methylbenzyl)piperazino]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3/c1-17-4-2-3-5-18(17)15-24-10-12-25(13-11-24)22(28)19-14-23-26(16-19)20-6-8-21(9-7-20)27(29)30/h2-9,14,16H,10-13,15H2,1H3