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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-cyclopentylpropanoyl)-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-cyclopentylpropanoyl)-3-(4-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(3-cyclopentyl-1-oxopropyl)-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-cyclopentylpropanoyl)-3-(4-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-cyclopentylpropanoyl)-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C27H40N4O3 MolecularWeight: 468.6315

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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)CCC4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)CCC4CCCC4

InChI

InChI=1S/C27H40N4O3/c1-19-7-10-21(11-8-19)27(34)31-18-4-17-30(24(32)16-9-20-5-2-3-6-20)26(31)25(33)29-23-14-12-22(28)13-15-23/h7-8,10-11,20,22-23,26H,2-6,9,12-18,28H2,1H3,(H,29,33)