methyl 4-(2,6-dimethylphenyl)-9-ethyl-5-methyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate

Systemtic Name: methyl 4-(2,6-dimethylphenyl)-9-ethyl-5-methyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate Openeye Name: methyl 4-(2,6-dimethylphenyl)-9-ethyl-5-methyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate CAS Name: 4-(2,6-dimethylphenyl)-9-ethyl-5-methyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(2,6-dimethylphenyl)-9-ethyl-5-methyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate Traditional Name: 4-(2,6-dimethylphenyl)-9-ethyl-5-methyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylic acid methyl ester Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N=C(NN(C2C)C3=C(C=CC=C3C)C)C(=O)OC

Isomeric SMILES

CCC1=CC=CC2=C1N=C(NN(C2C)C3=C(C=CC=C3C)C)C(=O)OC

InChI

InChI=1S/C21H25N3O2/c1-6-16-11-8-12-17-15(4)24(19-13(2)9-7-10-14(19)3)23-20(21(25)26-5)22-18(16)17/h7-12,15H,6H2,1-5H3,(H,22,23)