N-(4-azanylcyclohexyl)-1-(3-methylphenyl)carbonyl-3-(5-nitrofuran-2-yl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-methylphenyl)carbonyl-3-(5-nitrofuran-2-yl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(5-nitrofuran-2-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-methylphenyl)-oxomethyl]-3-[(5-nitro-2-furanyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(5-nitrofuran-2-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-m-toluoyl-3-(5-nitro-2-furoyl)hexahydropyrimidine-2-carboxamide Formula: C24H29N5O6 MolecularWeight: 483.51696

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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=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O6/c1-15-4-2-5-16(14-15)23(31)27-12-3-13-28(24(32)19-10-11-20(35-19)29(33)34)22(27)21(30)26-18-8-6-17(25)7-9-18/h2,4-5,10-11,14,17-18,22H,3,6-9,12-13,25H2,1H3,(H,26,30)