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

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one Openeye Name: 1-[4-(m-tolylmethyl)piperazin-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-3-(4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(3-methylbenzyl)piperazino]-3-(4-nitropyrazol-1-yl)propan-1-one Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3/c1-15-3-2-4-16(11-15)13-20-7-9-21(10-8-20)18(24)5-6-22-14-17(12-19-22)23(25)26/h2-4,11-12,14H,5-10,13H2,1H3