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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[2-(4-methoxyphenyl)ethanoylamino]-4-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-4-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]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-[[2-(4-methoxyphenyl)acetyl]amino]benzamide Formula: C33H40N6O4 MolecularWeight: 584.7085

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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)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5=CC=NC=C5

InChI

InChI=1S/C33H40N6O4/c1-43-28-10-3-23(4-11-28)21-31(40)37-29-22-25(32(41)36-27-8-6-26(34)7-9-27)5-12-30(29)38-17-2-18-39(20-19-38)33(42)24-13-15-35-16-14-24/h3-5,10-16,22,26-27H,2,6-9,17-21,34H2,1H3,(H,36,41)(H,37,40)