N-(4-azanylcyclohexyl)-4-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-3-nitro-benzamide Formula: C25H30ClN5O4 MolecularWeight: 499.9898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C25H30ClN5O4/c26-19-4-1-3-18(15-19)25(33)30-12-2-11-29(13-14-30)22-10-5-17(16-23(22)31(34)35)24(32)28-21-8-6-20(27)7-9-21/h1,3-5,10,15-16,20-21H,2,6-9,11-14,27H2,(H,28,32)