N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-3-[(3,4-dimethoxyphenyl)carbonylamino]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-3-[(3,4-dimethoxyphenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(3,4-dimethoxybenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(3,4-dimethoxybenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(veratroylamino)benzamide Formula: C31H41N5O5 MolecularWeight: 563.68774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5CC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5CC5)OC

InChI

InChI=1S/C31H41N5O5/c1-40-27-13-7-22(19-28(27)41-2)30(38)34-25-18-21(29(37)33-24-10-8-23(32)9-11-24)6-12-26(25)35-14-3-15-36(17-16-35)31(39)20-4-5-20/h6-7,12-13,18-20,23-24H,3-5,8-11,14-17,32H2,1-2H3,(H,33,37)(H,34,38)