N-(4-azanylcyclohexyl)-3-(cyclopropylcarbonylamino)-4-[4-(3-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-(cyclopropylcarbonylamino)-4-[4-(3-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)-4-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[cyclopropyl(oxo)methyl]amino]-4-[4-[(3-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)-4-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)-4-(4-m-anisoyl-1,4-diazepan-1-yl)benzamide Formula: C30H39N5O4 MolecularWeight: 533.66176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5CC5

InChI

InChI=1S/C30H39N5O4/c1-39-25-5-2-4-22(18-25)30(38)35-15-3-14-34(16-17-35)27-13-8-21(19-26(27)33-28(36)20-6-7-20)29(37)32-24-11-9-23(31)10-12-24/h2,4-5,8,13,18-20,23-24H,3,6-7,9-12,14-17,31H2,1H3,(H,32,37)(H,33,36)