N-(4-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-bromophenyl)-oxomethyl]-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C26H31BrN4O3 MolecularWeight: 527.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H31BrN4O3/c1-17-5-2-6-18(15-17)25(33)30-13-4-14-31(26(34)19-7-3-8-20(27)16-19)24(30)23(32)29-22-11-9-21(28)10-12-22/h2-3,5-8,15-16,21-22,24H,4,9-14,28H2,1H3,(H,29,32)