N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-bromophenyl)-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C22H25BrN4O3 MolecularWeight: 473.3629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4O3/c1-15-6-8-16(9-7-15)21(29)26-12-3-13-27(20(26)19(28)25-11-10-24)22(30)17-4-2-5-18(23)14-17/h2,4-9,14,20H,3,10-13,24H2,1H3,(H,25,28)