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

Systemtic Name: 3-azanyl-N-(4-azanylcyclohexyl)-4-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]benzamide CAS Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-[(3-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]benzamide Traditional Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]benzamide Formula: C25H32ClN5O2 MolecularWeight: 470.00688

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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

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)N

InChI

InChI=1S/C25H32ClN5O2/c26-19-4-1-3-18(15-19)25(33)31-12-2-11-30(13-14-31)23-10-5-17(16-22(23)28)24(32)29-21-8-6-20(27)7-9-21/h1,3-5,10,15-16,20-21H,2,6-9,11-14,27-28H2,(H,29,32)