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

Systemtic Name: 3-(3,4-dichlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea Openeye Name: 3-(3,4-dichlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea CAS Name: 3-(3,4-dichlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea IUPAC Name: 3-(3,4-dichlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea Traditional Name: 3-(3,4-dichlorophenyl)-1-(2,5-dimethoxybenzyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)urea Formula: C23H25Cl2N5O3 MolecularWeight: 490.3823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25Cl2N5O3/c1-32-17-8-10-20(33-2)15(12-17)14-30(22-28-27-21-6-4-3-5-11-29(21)22)23(31)26-16-7-9-18(24)19(25)13-16/h7-10,12-13H,3-6,11,14H2,1-2H3,(H,26,31)