N2-(2-azanylethyl)-N1-(3-bromophenyl)-N3-(3-methylphenyl)imidazolidine-1,2,3-tricarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(3-bromophenyl)-N3-(3-methylphenyl)imidazolidine-1,2,3-tricarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(3-bromophenyl)-N3-(m-tolyl)imidazolidine-1,2,3-tricarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-bromophenyl)-N3-(3-methylphenyl)imidazolidine-1,2,3-tricarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-N-(3-methylphenyl)imidazolidine-1,2,3-tricarboxamide Traditional Name: N2-(2-aminoethyl)-N1-(3-bromophenyl)-N3-(m-tolyl)imidazolidine-1,2,3-tricarboxamide Formula: C21H25BrN6O3 MolecularWeight: 489.3656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(C2C(=O)NCCN)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(C2C(=O)NCCN)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H25BrN6O3/c1-14-4-2-6-16(12-14)25-20(30)27-10-11-28(19(27)18(29)24-9-8-23)21(31)26-17-7-3-5-15(22)13-17/h2-7,12-13,19H,8-11,23H2,1H3,(H,24,29)(H,25,30)(H,26,31)