N-(4-azanylcyclohexyl)-1-(4-tert-butylphenyl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-tert-butylphenyl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-tert-butylphenyl)-oxomethyl]-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C29H37FN4O3 MolecularWeight: 508.627483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37FN4O3/c1-29(2,3)21-9-5-19(6-10-21)27(36)33-17-4-18-34(28(37)20-7-11-22(30)12-8-20)26(33)25(35)32-24-15-13-23(31)14-16-24/h5-12,23-24,26H,4,13-18,31H2,1-3H3,(H,32,35)