4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-methyl-3-nitro-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-nitro-benzamide Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CN(N=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CN(N=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O4/c1-19(32)28-10-12-29(13-11-28)23-9-8-22(14-24(23)31(34)35)25(33)27(2)16-21-15-26-30(18-21)17-20-6-4-3-5-7-20/h3-9,14-15,18H,10-13,16-17H2,1-2H3