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

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one Openeye Name: 1-[4-(m-tolylmethyl)piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-3-(3-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(3-methylbenzyl)piperazino]-3-(3-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=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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