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

Systemtic Name: 3-(2-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea Openeye Name: 3-(2-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea CAS Name: 3-(2-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea IUPAC Name: 3-(2-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea Traditional Name: 3-(2-chlorophenyl)-1-m-anisyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)urea Formula: C22H24ClN5O2 MolecularWeight: 425.91126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C2=NN=C3N2CCCCC3)C(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=CC(=C1)CN(C2=NN=C3N2CCCCC3)C(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C22H24ClN5O2/c1-30-17-9-7-8-16(14-17)15-28(22(29)24-19-11-5-4-10-18(19)23)21-26-25-20-12-3-2-6-13-27(20)21/h4-5,7-11,14H,2-3,6,12-13,15H2,1H3,(H,24,29)