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

Systemtic Name: N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-bromophenyl)-oxomethyl]-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C21H22BrFN4O3 MolecularWeight: 477.326783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrFN4O3/c22-16-4-1-3-15(13-16)21(30)27-12-2-11-26(19(27)18(28)25-10-9-24)20(29)14-5-7-17(23)8-6-14/h1,3-8,13,19H,2,9-12,24H2,(H,25,28)