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

Systemtic Name: 3-azanyl-N-(4-azanylcyclohexyl)-4-[4-(6-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(6-chloronicotinoyl)-1,4-diazepan-1-yl]benzamide Formula: C24H31ClN6O2 MolecularWeight: 470.99494

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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

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

InChI

InChI=1S/C24H31ClN6O2/c25-22-9-3-17(15-28-22)24(33)31-11-1-10-30(12-13-31)21-8-2-16(14-20(21)27)23(32)29-19-6-4-18(26)5-7-19/h2-3,8-9,14-15,18-19H,1,4-7,10-13,26-27H2,(H,29,32)