1,3-dioxepine-2,4,7-trione; methyl N-[4-methyl-4-(5-methylbenzimidazol-1-yl)cyclohexyl]carbamate

Systemtic Name: 1,3-dioxepine-2,4,7-trione; methyl N-[4-methyl-4-(5-methylbenzimidazol-1-yl)cyclohexyl]carbamate Openeye Name: 1,3-dioxepine-2,4,7-trione; methyl N-[4-methyl-4-(5-methylbenzimidazol-1-yl)cyclohexyl]carbamate CAS Name: 1,3-dioxepin-2,4,7-trione; N-[4-methyl-4-(5-methyl-1-benzimidazolyl)cyclohexyl]carbamic acid methyl ester IUPAC Name: 1,3-dioxepine-2,4,7-trione; methyl N-[4-methyl-4-(5-methylbenzimidazol-1-yl)cyclohexyl]carbamate Traditional Name: 1,3-dioxepin-2,4,7-trione; N-[4-methyl-4-(5-methylbenzimidazol-1-yl)cyclohexyl]carbamic acid methyl ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=N2)C3(CCC(CC3)NC(=O)OC)C.C1=CC(=O)OC(=O)OC1=O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=N2)C3(CCC(CC3)NC(=O)OC)C.C1=CC(=O)OC(=O)OC1=O

InChI

InChI=1S/C17H23N3O2.C5H2O5/c1-12-4-5-15-14(10-12)18-11-20(15)17(2)8-6-13(7-9-17)19-16(21)22-3;6-3-1-2-4(7)10-5(8)9-3/h4-5,10-11,13H,6-9H2,1-3H3,(H,19,21);1-2H