N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-3-methylphenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[4-(4-ethylpiperazino)-3-methyl-phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-])C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N7O3/c1-3-26-8-10-27(11-9-26)19-7-5-18(12-16(19)2)25-22(30)17-4-6-20(21(13-17)29(31)32)28-15-23-14-24-28/h4-7,12-15H,3,8-11H2,1-2H3,(H,25,30)