N2-(4-azanylcyclohexyl)-N1-(3-methoxyphenyl)-3-(3-methylphenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(3-methoxyphenyl)-3-(3-methylphenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-(3-methoxyphenyl)-3-(3-methylbenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(3-methoxyphenyl)-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-(3-methoxyphenyl)-3-(3-methylbenzoyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-(3-methoxyphenyl)-3-m-toluoyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C27H35N5O4/c1-18-6-3-7-19(16-18)26(34)31-14-5-15-32(27(35)30-22-8-4-9-23(17-22)36-2)25(31)24(33)29-21-12-10-20(28)11-13-21/h3-4,6-9,16-17,20-21,25H,5,10-15,28H2,1-2H3,(H,29,33)(H,30,35)