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

Systemtic Name: N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(3-methoxybenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-bromophenyl)-oxomethyl]-3-[(3-methoxyphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(3-methoxybenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-m-anisoyl-hexahydropyrimidine-2-carboxamide Formula: C22H25BrN4O4 MolecularWeight: 489.3623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H25BrN4O4/c1-31-18-8-3-6-16(14-18)22(30)27-12-4-11-26(20(27)19(28)25-10-9-24)21(29)15-5-2-7-17(23)13-15/h2-3,5-8,13-14,20H,4,9-12,24H2,1H3,(H,25,28)