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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-3-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea Openeye Name: 1-[(3-chlorophenyl)methyl]-3-(m-tolyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea CAS Name: 1-[(3-chlorophenyl)methyl]-3-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea IUPAC Name: 1-[(3-chlorophenyl)methyl]-3-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea Traditional Name: 1-(3-chlorobenzyl)-3-(m-tolyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)urea Formula: C22H24ClN5O MolecularWeight: 409.91186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N(CC2=CC(=CC=C2)Cl)C3=NN=C4N3CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N(CC2=CC(=CC=C2)Cl)C3=NN=C4N3CCCCC4

InChI

InChI=1S/C22H24ClN5O/c1-16-7-5-10-19(13-16)24-22(29)28(15-17-8-6-9-18(23)14-17)21-26-25-20-11-3-2-4-12-27(20)21/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,24,29)