1-[(2,4-dimethylphenyl)methyl]-1-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea

Systemtic Name: 1-[(2,4-dimethylphenyl)methyl]-1-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea Openeye Name: 1-[(2,4-dimethylphenyl)methyl]-1-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea CAS Name: 1-[(2,4-dimethylphenyl)methyl]-1-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea IUPAC Name: 1-[(2,4-dimethylphenyl)methyl]-1-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea Traditional Name: 1-(2,4-dimethylbenzyl)-1-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylmethyl)urea Formula: C19H27N5O MolecularWeight: 341.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)NCC2=NN=C3N2CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)NCC2=NN=C3N2CCCCC3)C

InChI

InChI=1S/C19H27N5O/c1-14-8-9-16(15(2)11-14)13-23(3)19(25)20-12-18-22-21-17-7-5-4-6-10-24(17)18/h8-9,11H,4-7,10,12-13H2,1-3H3,(H,20,25)