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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-3-(3-phenylpropanoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-methylphenyl)-oxomethyl]-3-(1-oxo-3-phenylpropyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-hydrocinnamoyl-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H36N4O3/c1-20-8-11-22(12-9-20)28(35)32-19-5-18-31(25(33)17-10-21-6-3-2-4-7-21)27(32)26(34)30-24-15-13-23(29)14-16-24/h2-4,6-9,11-12,23-24,27H,5,10,13-19,29H2,1H3,(H,30,34)