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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC2=NN=C3N2CCCCC3)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC2=NN=C3N2CCCCC3)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H26ClN5O2/c1-2-31-20-12-10-19(11-13-20)29(23(30)25-18-8-6-7-17(24)15-18)16-22-27-26-21-9-4-3-5-14-28(21)22/h6-8,10-13,15H,2-5,9,14,16H2,1H3,(H,25,30)