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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3,4-dimethoxyphenyl)carbonylamino]-4-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3,4-dimethoxybenzoyl)amino]-4-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3,4-dimethoxybenzoyl)amino]-4-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-isonicotinoyl-1,4-diazepan-1-yl)-3-(veratroylamino)benzamide Formula: C33H40N6O5 MolecularWeight: 600.7079

Click to see the large picture

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)C5=CC=NC=C5)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)C5=CC=NC=C5)OC

InChI

InChI=1S/C33H40N6O5/c1-43-29-11-5-24(21-30(29)44-2)32(41)37-27-20-23(31(40)36-26-8-6-25(34)7-9-26)4-10-28(27)38-16-3-17-39(19-18-38)33(42)22-12-14-35-15-13-22/h4-5,10-15,20-21,25-26H,3,6-9,16-19,34H2,1-2H3,(H,36,40)(H,37,41)