2-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate

Systemtic Name: 2-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Openeye Name: 2-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate CAS Name: 2-[(1-ethyl-4-pyrazolyl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate IUPAC Name: 2-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Traditional Name: 2-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Formula: C17H18N3O2- MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CC2CC(=CC3=CC=CC=C3N2)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)CC2CC(=CC3=CC=CC=C3N2)C(=O)[O-]

InChI

InChI=1S/C17H19N3O2/c1-2-20-11-12(10-18-20)7-15-9-14(17(21)22)8-13-5-3-4-6-16(13)19-15/h3-6,8,10-11,15,19H,2,7,9H2,1H3,(H,21,22)/p-1