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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2-chloranylpyridin-3-yl)carbonyl-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(2-chloropyridine-3-carbonyl)-3-(3-methoxybenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(2-chloro-3-pyridinyl)-oxomethyl]-3-[(3-methoxyphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(2-chloropyridine-3-carbonyl)-3-(3-methoxybenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(2-chloronicotinoyl)-3-m-anisoyl-hexahydropyrimidine-2-carboxamide Formula: C25H30ClN5O4 MolecularWeight: 499.9898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C25H30ClN5O4/c1-35-19-6-2-5-16(15-19)24(33)30-13-4-14-31(25(34)20-7-3-12-28-21(20)26)23(30)22(32)29-18-10-8-17(27)9-11-18/h2-3,5-7,12,15,17-18,23H,4,8-11,13-14,27H2,1H3,(H,29,32)