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

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)-3-[2-(4-methoxyphenyl)ethanoylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide Formula: C33H45N5O4 MolecularWeight: 575.7415

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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)C5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5CCCC5

InChI

InChI=1S/C33H45N5O4/c1-42-28-14-7-23(8-15-28)21-31(39)36-29-22-25(32(40)35-27-12-10-26(34)11-13-27)9-16-30(29)37-17-4-18-38(20-19-37)33(41)24-5-2-3-6-24/h7-9,14-16,22,24,26-27H,2-6,10-13,17-21,34H2,1H3,(H,35,40)(H,36,39)