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

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-3-[2-(4-methoxyphenyl)ethanoylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide Formula: C31H41N5O4 MolecularWeight: 547.68834

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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)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C31H41N5O4/c1-40-26-12-3-21(4-13-26)19-29(37)34-27-20-23(30(38)33-25-10-8-24(32)9-11-25)7-14-28(27)35-15-2-16-36(18-17-35)31(39)22-5-6-22/h3-4,7,12-14,20,22,24-25H,2,5-6,8-11,15-19,32H2,1H3,(H,33,38)(H,34,37)