1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea Traditional Name: 3-cyclohexyl-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-1-piperonyl-urea Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=O)NC5CCCCC5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=O)NC5CCCCC5)C

InChI

InChI=1S/C27H31N3O4/c1-17-8-10-20-13-21(26(31)29-25(20)18(17)2)15-30(27(32)28-22-6-4-3-5-7-22)14-19-9-11-23-24(12-19)34-16-33-23/h8-13,22H,3-7,14-16H2,1-2H3,(H,28,32)(H,29,31)