2-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid

Systemtic Name: 2-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid Openeye Name: 2-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid CAS Name: 2-[(1-methyl-4-pyrazolyl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid IUPAC Name: 2-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid Traditional Name: 2-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CC2CC(=CC3=CC=CC=C3N2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)CC2CC(=CC3=CC=CC=C3N2)C(=O)O

InChI

InChI=1S/C16H17N3O2/c1-19-10-11(9-17-19)6-14-8-13(16(20)21)7-12-4-2-3-5-15(12)18-14/h2-5,7,9-10,14,18H,6,8H2,1H3,(H,20,21)