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

Systemtic Name: 3-(3-chlorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea Openeye Name: 3-(3-chlorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea CAS Name: 3-(3-chlorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea IUPAC Name: 3-(3-chlorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea Traditional Name: 3-(3-chlorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylmethyl)urea Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)CN(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCC2=NN=C(N2CC1)CN(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN5O/c22-16-8-7-9-17(14-16)23-21(28)27(18-10-3-1-4-11-18)15-20-25-24-19-12-5-2-6-13-26(19)20/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H,23,28)