ethyl 11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: ethyl 11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: ethyl 11-(3-pyridylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(3-pyridinylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid ethyl ester IUPAC Name: ethyl 11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(3-pyridylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid ethyl ester Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NC4=CN=CC=C4

InChI

InChI=1S/C22H20N2O3/c1-2-26-22(25)15-9-10-20-19(12-15)21(24-17-7-5-11-23-13-17)18-8-4-3-6-16(18)14-27-20/h3-13,21,24H,2,14H2,1H3