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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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