N-(4-azanylcyclohexyl)-4-(4-ethanoyl-1,4-diazepan-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-ethanoyl-1,4-diazepan-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetyl-1,4-diazepan-1-yl)-N-(4-aminocyclohexyl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1,4-diazepan-1-yl)-N-(4-aminocyclohexyl)-3-nitrobenzamide IUPAC Name: 4-(4-acetyl-1,4-diazepan-1-yl)-N-(4-aminocyclohexyl)-3-nitrobenzamide Traditional Name: 4-(4-acetyl-1,4-diazepan-1-yl)-N-(4-aminocyclohexyl)-3-nitro-benzamide Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O4/c1-14(26)23-9-2-10-24(12-11-23)18-8-3-15(13-19(18)25(28)29)20(27)22-17-6-4-16(21)5-7-17/h3,8,13,16-17H,2,4-7,9-12,21H2,1H3,(H,22,27)