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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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