N-(4-azanylcyclohexyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(6-chloropyridine-3-carbonyl)-3-(3-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(6-chloro-3-pyridinyl)-oxomethyl]-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(6-chloropyridine-3-carbonyl)-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(6-chloronicotinoyl)-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C25H30ClN5O3 MolecularWeight: 483.9904

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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=CN=C(C=C4)Cl

Isomeric SMILES

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

InChI

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