(1S)-4,5-dimethoxy-3-[(1S)-1-(pyridin-4-ylamino)ethyl]-1H-2-benzazepine-1-carboxylate

Systemtic Name: (1S)-4,5-dimethoxy-3-[(1S)-1-(pyridin-4-ylamino)ethyl]-1H-2-benzazepine-1-carboxylate Openeye Name: (1S)-4,5-dimethoxy-3-[(1S)-1-(4-pyridylamino)ethyl]-1H-2-benzazepine-1-carboxylate CAS Name: (1S)-4,5-dimethoxy-3-[(1S)-1-(pyridin-4-ylamino)ethyl]-1H-2-benzazepine-1-carboxylate IUPAC Name: (1S)-4,5-dimethoxy-3-[(1S)-1-(pyridin-4-ylamino)ethyl]-1H-2-benzazepine-1-carboxylate Traditional Name: (1S)-4,5-dimethoxy-3-[(1S)-1-(4-pyridylamino)ethyl]-1H-2-benzazepine-1-carboxylate Formula: C20H20N3O4- MolecularWeight: 366.3905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(C2=CC=CC=C2C(=C1OC)OC)C(=O)[O-])NC3=CC=NC=C3

Isomeric SMILES

C[C@@H](C1=N[C@@H](C2=CC=CC=C2C(=C1OC)OC)C(=O)[O-])NC3=CC=NC=C3

InChI

InChI=1S/C20H21N3O4/c1-12(22-13-8-10-21-11-9-13)16-19(27-3)18(26-2)15-7-5-4-6-14(15)17(23-16)20(24)25/h4-12,17H,1-3H3,(H,21,22)(H,24,25)/p-1/t12-,17-/m0/s1