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

Systemtic Name: 3-(4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea Openeye Name: 3-(4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea CAS Name: 3-(4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea IUPAC Name: 3-(4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea Traditional Name: 3-(4-chlorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)-1-veratryl-urea Formula: C23H26ClN5O3 MolecularWeight: 455.93724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2=NN=C3N2CCCCC3)C(=O)NC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2=NN=C3N2CCCCC3)C(=O)NC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C23H26ClN5O3/c1-31-19-12-7-16(14-20(19)32-2)15-29(23(30)25-18-10-8-17(24)9-11-18)22-27-26-21-6-4-3-5-13-28(21)22/h7-12,14H,3-6,13,15H2,1-2H3,(H,25,30)