N-ethyl-11-[1-(1H-imidazol-5-ylmethyl)piperidin-4-ylidene]-6H-benzo[c][1]benzoxepine-3-carboxamide

Systemtic Name: N-ethyl-11-[1-(1H-imidazol-5-ylmethyl)piperidin-4-ylidene]-6H-benzo[c][1]benzoxepine-3-carboxamide Openeye Name: N-ethyl-11-[1-(1H-imidazol-5-ylmethyl)-4-piperidylidene]-6H-benzo[c][1]benzoxepine-3-carboxamide CAS Name: N-ethyl-11-[1-(1H-imidazol-5-ylmethyl)-4-piperidinylidene]-6H-benzo[c][1]benzoxepin-3-carboxamide IUPAC Name: N-ethyl-11-[1-(1H-imidazol-5-ylmethyl)piperidin-4-ylidene]-6H-benzo[c][1]benzoxepine-3-carboxamide Traditional Name: N-ethyl-11-[1-(1H-imidazol-5-ylmethyl)-4-piperidylidene]-6H-benzo[c][1]benzoxepin-3-carboxamide Formula: C26H28N4O2 MolecularWeight: 428.52612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC2=C(C=C1)C(=C3CCN(CC3)CC4=CN=CN4)C5=CC=CC=C5CO2

Isomeric SMILES

CCNC(=O)C1=CC2=C(C=C1)C(=C3CCN(CC3)CC4=CN=CN4)C5=CC=CC=C5CO2

InChI

InChI=1S/C26H28N4O2/c1-2-28-26(31)19-7-8-23-24(13-19)32-16-20-5-3-4-6-22(20)25(23)18-9-11-30(12-10-18)15-21-14-27-17-29-21/h3-8,13-14,17H,2,9-12,15-16H2,1H3,(H,27,29)(H,28,31)