N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-3-nitro-N-propyl-benzamide

Systemtic Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-3-nitro-N-propyl-benzamide Openeye Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-3-nitro-N-propyl-benzamide CAS Name: N-[[5-(4-ethyl-1-piperazinyl)-3-methyl-1-phenyl-4-pyrazolyl]methyl]-3-nitro-N-propylbenzamide IUPAC Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-nitro-N-propylbenzamide Traditional Name: N-[[5-(4-ethylpiperazino)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-3-nitro-N-propyl-benzamide Formula: C27H34N6O3 MolecularWeight: 490.59726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=C(N(N=C1C)C2=CC=CC=C2)N3CCN(CC3)CC)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=C(N(N=C1C)C2=CC=CC=C2)N3CCN(CC3)CC)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H34N6O3/c1-4-14-31(27(34)22-10-9-13-24(19-22)33(35)36)20-25-21(3)28-32(23-11-7-6-8-12-23)26(25)30-17-15-29(5-2)16-18-30/h6-13,19H,4-5,14-18,20H2,1-3H3