N2-(2-azanylethyl)-N1-(4-chlorophenyl)-N3-(3-methylphenyl)imidazolidine-1,2,3-tricarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(4-chlorophenyl)-N3-(3-methylphenyl)imidazolidine-1,2,3-tricarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(4-chlorophenyl)-N3-(m-tolyl)imidazolidine-1,2,3-tricarboxamide CAS Name: N2-(2-aminoethyl)-N1-(4-chlorophenyl)-N3-(3-methylphenyl)imidazolidine-1,2,3-tricarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(4-chlorophenyl)-3-N-(3-methylphenyl)imidazolidine-1,2,3-tricarboxamide Traditional Name: N2-(2-aminoethyl)-N1-(4-chlorophenyl)-N3-(m-tolyl)imidazolidine-1,2,3-tricarboxamide Formula: C21H25ClN6O3 MolecularWeight: 444.9146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN6O3/c1-14-3-2-4-17(13-14)26-21(31)28-12-11-27(19(28)18(29)24-10-9-23)20(30)25-16-7-5-15(22)6-8-16/h2-8,13,19H,9-12,23H2,1H3,(H,24,29)(H,25,30)(H,26,31)