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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O3/c1-19-6-4-9-21(18-19)27(34)31-17-5-16-30(24(32)15-10-20-7-2-3-8-20)26(31)25(33)29-23-13-11-22(28)12-14-23/h4,6,9,18,20,22-23,26H,2-3,5,7-8,10-17,28H2,1H3,(H,29,33)