1-methyl-3-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1-(quinolin-3-ylmethyl)urea

Systemtic Name: 1-methyl-3-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1-(quinolin-3-ylmethyl)urea Openeye Name: 3-(5-isobutyl-1H-1,2,4-triazol-3-yl)-1-methyl-1-(3-quinolylmethyl)urea CAS Name: 1-methyl-3-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1-(3-quinolinylmethyl)urea IUPAC Name: 1-methyl-3-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1-(quinolin-3-ylmethyl)urea Traditional Name: 3-(5-isobutyl-1H-1,2,4-triazol-3-yl)-1-methyl-1-(3-quinolylmethyl)urea Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)NC(=O)N(C)CC2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CC(C)CC1=NC(=NN1)NC(=O)N(C)CC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C18H22N6O/c1-12(2)8-16-20-17(23-22-16)21-18(25)24(3)11-13-9-14-6-4-5-7-15(14)19-10-13/h4-7,9-10,12H,8,11H2,1-3H3,(H2,20,21,22,23,25)