N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-3-(3-methylphenyl)carbonyl-imidazolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-3-(3-methylphenyl)carbonyl-imidazolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(3-methylbenzoyl)imidazolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-bromophenyl)-oxomethyl]-3-[(3-methylphenyl)-oxomethyl]-2-imidazolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(3-methylbenzoyl)imidazolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-m-toluoyl-imidazolidine-2-carboxamide Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O3/c1-14-4-2-5-15(12-14)20(28)25-10-11-26(19(25)18(27)24-9-8-23)21(29)16-6-3-7-17(22)13-16/h2-7,12-13,19H,8-11,23H2,1H3,(H,24,27)