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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3-methylphenyl)carbonylamino]-4-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3-methylbenzoyl)amino]-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3-methylphenyl)-oxomethyl]amino]-4-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3-methylbenzoyl)amino]-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-(m-toluoylamino)benzamide Formula: C31H42N6O4 MolecularWeight: 562.70298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)N5CCOCC5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C31H42N6O4/c1-22-4-2-5-23(20-22)30(39)34-27-21-24(29(38)33-26-9-7-25(32)8-10-26)6-11-28(27)35-12-3-13-36(15-14-35)31(40)37-16-18-41-19-17-37/h2,4-6,11,20-21,25-26H,3,7-10,12-19,32H2,1H3,(H,33,38)(H,34,39)