methyl 7-bromanyl-2-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate

Systemtic Name: methyl 7-bromanyl-2-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Openeye Name: methyl 7-bromo-2-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate CAS Name: 7-bromo-2-[(1-ethyl-4-pyrazolyl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-2-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Traditional Name: 7-bromo-2-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid methyl ester Formula: C18H20BrN3O2 MolecularWeight: 390.2743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CC2CC(=CC3=C(N2)C=CC(=C3)Br)C(=O)OC

Isomeric SMILES

CCN1C=C(C=N1)CC2CC(=CC3=C(N2)C=CC(=C3)Br)C(=O)OC

InChI

InChI=1S/C18H20BrN3O2/c1-3-22-11-12(10-20-22)6-16-9-14(18(23)24-2)7-13-8-15(19)4-5-17(13)21-16/h4-5,7-8,10-11,16,21H,3,6,9H2,1-2H3