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

Systemtic Name: 2-chloranyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-4-nitro-N-propyl-benzamide Openeye Name: 2-chloro-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-4-nitro-N-propyl-benzamide CAS Name: 2-chloro-N-[[5-(4-ethyl-1-piperazinyl)-3-methyl-1-phenyl-4-pyrazolyl]methyl]-4-nitro-N-propylbenzamide IUPAC Name: 2-chloro-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-nitro-N-propylbenzamide Traditional Name: 2-chloro-N-[[5-(4-ethylpiperazino)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-4-nitro-N-propyl-benzamide Formula: C27H33ClN6O3 MolecularWeight: 525.04232

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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=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H33ClN6O3/c1-4-13-32(27(35)23-12-11-22(34(36)37)18-25(23)28)19-24-20(3)29-33(21-9-7-6-8-10-21)26(24)31-16-14-30(5-2)15-17-31/h6-12,18H,4-5,13-17,19H2,1-3H3