[(5S)-11-aminocarbonyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] pyridine-3-carboxylate

Systemtic Name: [(5S)-11-aminocarbonyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] pyridine-3-carboxylate Openeye Name: [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] ester IUPAC Name: [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)OC(=O)C4=CN=CC=C4

Isomeric SMILES

C1[C@@H](C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H17N3O3/c22-21(26)24-17-9-3-1-6-14(17)12-19(16-8-2-4-10-18(16)24)27-20(25)15-7-5-11-23-13-15/h1-11,13,19H,12H2,(H2,22,26)/t19-/m0/s1