methyl 4-phenyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate

Systemtic Name: methyl 4-phenyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate Openeye Name: methyl 4-phenyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate CAS Name: 4-phenyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate Traditional Name: 4-phenyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylic acid methyl ester Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=CC=CC=C2CN(N1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NC2=CC=CC=C2CN(N1)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2/c1-21-16(20)15-17-14-10-6-5-7-12(14)11-19(18-15)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,17,18)