methyl 7-bromanyl-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylate

Systemtic Name: methyl 7-bromanyl-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylate Openeye Name: methyl 7-bromo-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylate CAS Name: 7-bromo-1-[(1-ethyl-4-pyrazolyl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylate Traditional Name: 7-bromo-1-[(1-ethylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-5-carboxylic acid methyl ester Formula: C18H20BrN3O2 MolecularWeight: 390.2743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN2CCC=C(C3=C2C=CC(=C3)Br)C(=O)OC

Isomeric SMILES

CCN1C=C(C=N1)CN2CCC=C(C3=C2C=CC(=C3)Br)C(=O)OC

InChI

InChI=1S/C18H20BrN3O2/c1-3-22-12-13(10-20-22)11-21-8-4-5-15(18(23)24-2)16-9-14(19)6-7-17(16)21/h5-7,9-10,12H,3-4,8,11H2,1-2H3