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

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)-3-[(3,4-dimethoxyphenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-[(3,4-dimethoxybenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-[(3,4-dimethoxybenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(veratroylamino)benzamide Formula: C33H45N5O5 MolecularWeight: 591.7409

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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)C5CCCC5)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)C5CCCC5)OC

InChI

InChI=1S/C33H45N5O5/c1-42-29-15-9-24(21-30(29)43-2)32(40)36-27-20-23(31(39)35-26-12-10-25(34)11-13-26)8-14-28(27)37-16-5-17-38(19-18-37)33(41)22-6-3-4-7-22/h8-9,14-15,20-22,25-26H,3-7,10-13,16-19,34H2,1-2H3,(H,35,39)(H,36,40)