3-(3,4-dichlorophenyl)-1-[(4-ethylphenyl)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-[(4-ethylphenyl)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-[(4-ethylphenyl)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-[(4-ethylphenyl)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-[(4-ethylphenyl)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-(4-ethylbenzyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)urea Formula: C23H25Cl2N5O MolecularWeight: 458.3835

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C2=NN=C3N2CCCCC3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C2=NN=C3N2CCCCC3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H25Cl2N5O/c1-2-16-7-9-17(10-8-16)15-30(22-28-27-21-6-4-3-5-13-29(21)22)23(31)26-18-11-12-19(24)20(25)14-18/h7-12,14H,2-6,13,15H2,1H3,(H,26,31)