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

Systemtic Name: 3-(3-chlorophenyl)-1-[(2-ethoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea Openeye Name: 3-(3-chlorophenyl)-1-[(2-ethoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea CAS Name: 3-(3-chlorophenyl)-1-[(2-ethoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea IUPAC Name: 3-(3-chlorophenyl)-1-[(2-ethoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea Traditional Name: 3-(3-chlorophenyl)-1-(2-ethoxybenzyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)urea Formula: C23H26ClN5O2 MolecularWeight: 439.93784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN(C2=NN=C3N2CCCCC3)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC1=CC=CC=C1CN(C2=NN=C3N2CCCCC3)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H26ClN5O2/c1-2-31-20-12-6-5-9-17(20)16-29(23(30)25-19-11-8-10-18(24)15-19)22-27-26-21-13-4-3-7-14-28(21)22/h5-6,8-12,15H,2-4,7,13-14,16H2,1H3,(H,25,30)