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

Systemtic Name: N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-3-(3,4-dichlorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-bromophenyl)-oxomethyl]-3-[(3,4-dichlorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C21H21BrCl2N4O3 MolecularWeight: 528.22644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCCN)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCCN)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrCl2N4O3/c22-15-4-1-3-13(11-15)20(30)27-9-2-10-28(19(27)18(29)26-8-7-25)21(31)14-5-6-16(23)17(24)12-14/h1,3-6,11-12,19H,2,7-10,25H2,(H,26,29)