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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea CAS Name: 1-[(4-chlorophenyl)methyl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea Traditional Name: 1-(4-chlorobenzyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylmethyl)urea Formula: C16H20ClN5O MolecularWeight: 333.8159

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)CNC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC2=NN=C(N2CC1)CNC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H20ClN5O/c17-13-7-5-12(6-8-13)10-18-16(23)19-11-15-21-20-14-4-2-1-3-9-22(14)15/h5-8H,1-4,9-11H2,(H2,18,19,23)