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

Systemtic Name: N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-bromophenyl)-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(3-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(3-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(=CC=C3)F

Isomeric SMILES

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

InChI

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