1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea Traditional Name: 3-cyclohexyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-piperonyl-urea Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=O)NC5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=O)NC5CCCCC5)OC

InChI

InChI=1S/C27H31N3O6/c1-33-23-12-18-11-19(26(31)29-21(18)13-24(23)34-2)15-30(27(32)28-20-6-4-3-5-7-20)14-17-8-9-22-25(10-17)36-16-35-22/h8-13,20H,3-7,14-16H2,1-2H3,(H,28,32)(H,29,31)