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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3-methoxyphenyl)carbonylamino]-4-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3-methoxybenzoyl)amino]-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3-methoxyphenyl)-oxomethyl]amino]-4-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3-methoxybenzoyl)amino]-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-(m-anisoylamino)-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]benzamide Formula: C31H42N6O5 MolecularWeight: 578.70238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)N5CCOCC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C31H42N6O5/c1-41-26-5-2-4-22(20-26)30(39)34-27-21-23(29(38)33-25-9-7-24(32)8-10-25)6-11-28(27)35-12-3-13-36(15-14-35)31(40)37-16-18-42-19-17-37/h2,4-6,11,20-21,24-25H,3,7-10,12-19,32H2,1H3,(H,33,38)(H,34,39)