N2-(2-azanylethyl)-N1-(3-bromophenyl)-3-(4-methylphenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(3-bromophenyl)-3-(4-methylphenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(3-bromophenyl)-3-(4-methylbenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-bromophenyl)-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(4-methylbenzoyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(3-bromophenyl)-3-p-toluoyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C22H26BrN5O3 MolecularWeight: 488.37754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H26BrN5O3/c1-15-6-8-16(9-7-15)21(30)27-12-3-13-28(20(27)19(29)25-11-10-24)22(31)26-18-5-2-4-17(23)14-18/h2,4-9,14,20H,3,10-13,24H2,1H3,(H,25,29)(H,26,31)