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

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-4-(methylamino)-3-nitro-benzamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-4-24-9-11-25(12-10-24)17-6-8-18(15(2)13-17)23-21(27)16-5-7-19(22-3)20(14-16)26(28)29/h5-8,13-14,22H,4,9-12H2,1-3H3,(H,23,27)