N-(4-azanylcyclohexyl)-4-[4-[2-(4-methoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-[2-(4-methoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)-1-oxoethyl]-1,4-diazepan-1-yl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-3-nitro-benzamide Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C27H35N5O5/c1-37-23-10-3-19(4-11-23)17-26(33)31-14-2-13-30(15-16-31)24-12-5-20(18-25(24)32(35)36)27(34)29-22-8-6-21(28)7-9-22/h3-5,10-12,18,21-22H,2,6-9,13-17,28H2,1H3,(H,29,34)