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

Systemtic Name: 3-azanyl-N-(4-azanylcyclohexyl)-4-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]benzamide CAS Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]benzamide Traditional Name: 3-amino-N-(4-aminocyclohexyl)-4-(4-m-toluoyl-1,4-diazepan-1-yl)benzamide Formula: C26H35N5O2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)N

InChI

InChI=1S/C26H35N5O2/c1-18-4-2-5-20(16-18)26(33)31-13-3-12-30(14-15-31)24-11-6-19(17-23(24)28)25(32)29-22-9-7-21(27)8-10-22/h2,4-6,11,16-17,21-22H,3,7-10,12-15,27-28H2,1H3,(H,29,32)