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

Systemtic Name: butyl 11-(pyridin-3-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: butyl 11-(3-pyridylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(3-pyridinylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid butyl ester IUPAC Name: butyl 11-(pyridin-3-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(3-pyridylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid butyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NCC4=CN=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NCC4=CN=CC=C4

InChI

InChI=1S/C25H26N2O3/c1-2-3-13-29-25(28)19-10-11-23-22(14-19)24(27-16-18-7-6-12-26-15-18)21-9-5-4-8-20(21)17-30-23/h4-12,14-15,24,27H,2-3,13,16-17H2,1H3