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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2-chloranylpyridin-3-yl)carbonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(2-chloropyridine-3-carbonyl)-3-(4-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(2-chloro-3-pyridinyl)-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(2-chloropyridine-3-carbonyl)-3-(4-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(2-chloronicotinoyl)-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C25H30ClN5O3 MolecularWeight: 483.9904

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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)C4=C(N=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN5O3/c1-16-5-7-17(8-6-16)24(33)30-14-3-15-31(25(34)20-4-2-13-28-21(20)26)23(30)22(32)29-19-11-9-18(27)10-12-19/h2,4-8,13,18-19,23H,3,9-12,14-15,27H2,1H3,(H,29,32)