3-(3-methoxy-4-nitro-pyrazol-1-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-1-[4-(o-tolylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-methoxy-4-nitro-1-pyrazolyl)-1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-methoxy-4-nitropyrazol-1-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-1-[4-(2-methylbenzyl)piperazino]propan-1-one Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCN3C=C(C(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCN3C=C(C(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4/c1-15-5-3-4-6-16(15)13-21-9-11-22(12-10-21)18(25)7-8-23-14-17(24(26)27)19(20-23)28-2/h3-6,14H,7-13H2,1-2H3