2-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one

Systemtic Name: 2-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one Openeye Name: 2-methyl-1-[4-(m-tolylmethyl)piperazin-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one CAS Name: 2-methyl-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-3-(4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 2-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: 2-methyl-1-[4-(3-methylbenzyl)piperazino]-3-(4-nitropyrazol-1-yl)propan-1-one Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C(C)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C(C)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O3/c1-15-4-3-5-17(10-15)13-21-6-8-22(9-7-21)19(25)16(2)12-23-14-18(11-20-23)24(26)27/h3-5,10-11,14,16H,6-9,12-13H2,1-2H3