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

Systemtic Name: 1-methyl-1-(phenylmethyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea Openeye Name: 1-benzyl-1-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea CAS Name: 1-methyl-1-(phenylmethyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea IUPAC Name: 1-benzyl-1-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea Traditional Name: 1-benzyl-1-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylmethyl)urea Formula: C17H23N5O MolecularWeight: 313.39742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O/c1-21(13-14-8-4-2-5-9-14)17(23)18-12-16-20-19-15-10-6-3-7-11-22(15)16/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,18,23)