1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea Traditional Name: 3-(3-chlorophenyl)-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-1-piperonyl-urea Formula: C27H24ClN3O4 MolecularWeight: 489.95016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC(=CC=C5)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H24ClN3O4/c1-2-17-6-8-23-19(10-17)12-20(26(32)30-23)15-31(27(33)29-22-5-3-4-21(28)13-22)14-18-7-9-24-25(11-18)35-16-34-24/h3-13H,2,14-16H2,1H3,(H,29,33)(H,30,32)