6-ethyl-6-[4-(pyridin-3-yloxymethyl)phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one

Systemtic Name: 6-ethyl-6-[4-(pyridin-3-yloxymethyl)phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one Openeye Name: 6-ethyl-6-[4-(3-pyridyloxymethyl)phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one CAS Name: 6-ethyl-6-[4-(3-pyridinyloxymethyl)phenyl]-7-pyrrolo[2,1-d][1,5]benzoxazepinone IUPAC Name: 6-ethyl-6-[4-(pyridin-3-yloxymethyl)phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one Traditional Name: 6-ethyl-6-[4-(3-pyridyloxymethyl)phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=C(C=C4)COC5=CN=CC=C5

Isomeric SMILES

CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=C(C=C4)COC5=CN=CC=C5

InChI

InChI=1S/C26H22N2O3/c1-2-26(20-13-11-19(12-14-20)18-30-21-7-5-15-27-17-21)25(29)23-9-6-16-28(23)22-8-3-4-10-24(22)31-26/h3-17H,2,18H2,1H3