N2-(4-azanylcyclohexyl)-3-(4-methylphenyl)carbonyl-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(4-methylphenyl)carbonyl-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N1-allyl-N2-(4-aminocyclohexyl)-3-(4-methylbenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-[(4-methylphenyl)-oxomethyl]-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(4-methylbenzoyl)-1-N-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N-allyl-N'-(4-aminocyclohexyl)-3-p-toluoyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C23H33N5O3 MolecularWeight: 427.53982

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O3/c1-3-13-25-23(31)28-15-4-14-27(22(30)17-7-5-16(2)6-8-17)21(28)20(29)26-19-11-9-18(24)10-12-19/h3,5-8,18-19,21H,1,4,9-15,24H2,2H3,(H,25,31)(H,26,29)