(phenylmethyl) 2-(2-azanylethylcarbamoyl)-3-(4-methylphenyl)carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-azanylethylcarbamoyl)-3-(4-methylphenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 2-(2-aminoethylcarbamoyl)-3-(4-methylbenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-aminoethylcarbamoyl)-3-(4-methylbenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-p-toluoyl-hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O4/c1-17-8-10-19(11-9-17)22(29)26-14-5-15-27(21(26)20(28)25-13-12-24)23(30)31-16-18-6-3-2-4-7-18/h2-4,6-11,21H,5,12-16,24H2,1H3,(H,25,28)