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

Systemtic Name: 6-ethyl-6-[4-(3-methylbut-3-enoxymethyl)phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one Openeye Name: 6-ethyl-6-[4-(3-methylbut-3-enoxymethyl)phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one CAS Name: 6-ethyl-6-[4-(3-methylbut-3-enoxymethyl)phenyl]-7-pyrrolo[2,1-d][1,5]benzoxazepinone IUPAC Name: 6-ethyl-6-[4-(3-methylbut-3-enoxymethyl)phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one Traditional Name: 6-ethyl-6-[4-(3-methylbut-3-enoxymethyl)phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one Formula: C26H27NO3 MolecularWeight: 401.49748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=C(C=C4)COCCC(=C)C

Isomeric SMILES

CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=C(C=C4)COCCC(=C)C

InChI

InChI=1S/C26H27NO3/c1-4-26(21-13-11-20(12-14-21)18-29-17-15-19(2)3)25(28)23-9-7-16-27(23)22-8-5-6-10-24(22)30-26/h5-14,16H,2,4,15,17-18H2,1,3H3