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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(o-tolyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea Traditional Name: 3-(o-tolyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)-1-veratryl-urea Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N(CC2=CC(=C(C=C2)OC)OC)C3=NN=C4N3CCCCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N(CC2=CC(=C(C=C2)OC)OC)C3=NN=C4N3CCCCC4

InChI

InChI=1S/C24H29N5O3/c1-17-9-6-7-10-19(17)25-24(30)29(16-18-12-13-20(31-2)21(15-18)32-3)23-27-26-22-11-5-4-8-14-28(22)23/h6-7,9-10,12-13,15H,4-5,8,11,14,16H2,1-3H3,(H,25,30)