4-(4-methylpiperazin-1-yl)-3-nitro-N-pentan-3-yl-benzamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-pentan-3-yl-benzamide Openeye Name: N-(1-ethylpropyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazinyl)-3-nitro-N-pentan-3-ylbenzamide IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-pentan-3-ylbenzamide Traditional Name: N-(1-ethylpropyl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O3/c1-4-14(5-2)18-17(22)13-6-7-15(16(12-13)21(23)24)20-10-8-19(3)9-11-20/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,18,22)