N-(4-azanylcyclohexyl)-1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(3-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C28H40N6O3 MolecularWeight: 508.6556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=NN4C)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=NN4C)C(C)(C)C

InChI

InChI=1S/C28H40N6O3/c1-18-8-6-9-19(16-18)26(36)33-14-7-15-34(25(33)24(35)30-21-12-10-20(29)11-13-21)27(37)22-17-23(28(2,3)4)31-32(22)5/h6,8-9,16-17,20-21,25H,7,10-15,29H2,1-5H3,(H,30,35)