(1S)-4-bromanyl-5-methoxy-3-[(1R)-1-(pyridin-3-ylamino)ethyl]-1H-2-benzazepine-1-carboxylate

Systemtic Name: (1S)-4-bromanyl-5-methoxy-3-[(1R)-1-(pyridin-3-ylamino)ethyl]-1H-2-benzazepine-1-carboxylate Openeye Name: (1S)-4-bromo-5-methoxy-3-[(1R)-1-(3-pyridylamino)ethyl]-1H-2-benzazepine-1-carboxylate CAS Name: (1S)-4-bromo-5-methoxy-3-[(1R)-1-(3-pyridinylamino)ethyl]-1H-2-benzazepine-1-carboxylate IUPAC Name: (1S)-4-bromo-5-methoxy-3-[(1R)-1-(pyridin-3-ylamino)ethyl]-1H-2-benzazepine-1-carboxylate Traditional Name: (1S)-4-bromo-5-methoxy-3-[(1R)-1-(3-pyridylamino)ethyl]-1H-2-benzazepine-1-carboxylate Formula: C19H17BrN3O3- MolecularWeight: 415.26058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(C2=CC=CC=C2C(=C1Br)OC)C(=O)[O-])NC3=CN=CC=C3

Isomeric SMILES

C[C@H](C1=N[C@@H](C2=CC=CC=C2C(=C1Br)OC)C(=O)[O-])NC3=CN=CC=C3

InChI

InChI=1S/C19H18BrN3O3/c1-11(22-12-6-5-9-21-10-12)16-15(20)18(26-2)14-8-4-3-7-13(14)17(23-16)19(24)25/h3-11,17,22H,1-2H3,(H,24,25)/p-1/t11-,17+/m1/s1