N-(4-azanylcyclohexyl)-4-(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)-3-[2-(4-methoxyphenyl)ethanoylamino]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)-3-[2-(4-methoxyphenyl)ethanoylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide Formula: C32H43N5O4 MolecularWeight: 561.71492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5CCC5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5CCC5

InChI

InChI=1S/C32H43N5O4/c1-41-27-13-6-22(7-14-27)20-30(38)35-28-21-24(31(39)34-26-11-9-25(33)10-12-26)8-15-29(28)36-16-3-17-37(19-18-36)32(40)23-4-2-5-23/h6-8,13-15,21,23,25-26H,2-5,9-12,16-20,33H2,1H3,(H,34,39)(H,35,38)