ethyl 11-(pyridin-4-ylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: ethyl 11-(pyridin-4-ylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: ethyl 11-(4-pyridylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(pyridin-4-ylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid ethyl ester IUPAC Name: ethyl 11-(pyridin-4-ylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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