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

Systemtic Name: phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-(3-methylphenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-m-toluoyl-hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O4/c1-18-7-5-8-19(17-18)25(32)29-15-6-16-30(26(33)34-22-9-3-2-4-10-22)24(29)23(31)28-21-13-11-20(27)12-14-21/h2-5,7-10,17,20-21,24H,6,11-16,27H2,1H3,(H,28,31)