phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-[(3-methylphenyl)carbamoyl]-1,3-diazinane-1-carboxylate

Systemtic Name: phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-[(3-methylphenyl)carbamoyl]-1,3-diazinane-1-carboxylate Openeye Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(m-tolylcarbamoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-[(3-methylanilino)-oxomethyl]-1,3-diazinane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-[(3-methylphenyl)carbamoyl]-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-(m-tolylcarbamoyl)hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H33N5O4/c1-18-7-5-8-21(17-18)29-25(33)30-15-6-16-31(26(34)35-22-9-3-2-4-10-22)24(30)23(32)28-20-13-11-19(27)12-14-20/h2-5,7-10,17,19-20,24H,6,11-16,27H2,1H3,(H,28,32)(H,29,33)