N-ethyl-11-[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]-6H-benzo[c][1]benzoxepine-3-carboxamide

Systemtic Name: N-ethyl-11-[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]-6H-benzo[c][1]benzoxepine-3-carboxamide Openeye Name: N-ethyl-11-[1-(2-thienylmethyl)-4-piperidylidene]-6H-benzo[c][1]benzoxepine-3-carboxamide CAS Name: N-ethyl-11-[1-(thiophen-2-ylmethyl)-4-piperidinylidene]-6H-benzo[c][1]benzoxepin-3-carboxamide IUPAC Name: N-ethyl-11-[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]-6H-benzo[c][1]benzoxepine-3-carboxamide Traditional Name: N-ethyl-11-[1-(2-thenyl)-4-piperidylidene]-6H-benzo[c][1]benzoxepin-3-carboxamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC2=C(C=C1)C(=C3CCN(CC3)CC4=CC=CS4)C5=CC=CC=C5CO2

Isomeric SMILES

CCNC(=O)C1=CC2=C(C=C1)C(=C3CCN(CC3)CC4=CC=CS4)C5=CC=CC=C5CO2

InChI

InChI=1S/C27H28N2O2S/c1-2-28-27(30)20-9-10-24-25(16-20)31-18-21-6-3-4-8-23(21)26(24)19-11-13-29(14-12-19)17-22-7-5-15-32-22/h3-10,15-16H,2,11-14,17-18H2,1H3,(H,28,30)