N-(4-azanylcyclohexyl)-4-[4-(6-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(6-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1,4-diazepan-1-yl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(6-chloronicotinoyl)-1,4-diazepan-1-yl]-3-nitro-benzamide Formula: C24H29ClN6O4 MolecularWeight: 500.97786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN6O4/c25-22-9-3-17(15-27-22)24(33)30-11-1-10-29(12-13-30)20-8-2-16(14-21(20)31(34)35)23(32)28-19-6-4-18(26)5-7-19/h2-3,8-9,14-15,18-19H,1,4-7,10-13,26H2,(H,28,32)