methyl 11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine-9-carboxylate

Systemtic Name: methyl 11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine-9-carboxylate Openeye Name: methyl 11-(1-methyl-4-piperidylidene)-5H-[1]benzoxepino[4,3-b]pyridine-9-carboxylate CAS Name: 11-(1-methyl-4-piperidinylidene)-5H-[1]benzoxepino[4,3-b]pyridine-9-carboxylic acid methyl ester IUPAC Name: methyl 11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine-9-carboxylate Traditional Name: 11-(1-methyl-4-piperidylidene)-5H-[1]benzoxepino[4,3-b]pyridine-9-carboxylic acid methyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C3=C(C=CC(=C3)C(=O)OC)OCC4=C2N=CC=C4)CC1

Isomeric SMILES

CN1CCC(=C2C3=C(C=CC(=C3)C(=O)OC)OCC4=C2N=CC=C4)CC1

InChI

InChI=1S/C21H22N2O3/c1-23-10-7-14(8-11-23)19-17-12-15(21(24)25-2)5-6-18(17)26-13-16-4-3-9-22-20(16)19/h3-6,9,12H,7-8,10-11,13H2,1-2H3