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

Systemtic Name: 6-ethyl-6-[4-(3-methylbutoxymethyl)phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one Openeye Name: 6-ethyl-6-[4-(isopentyloxymethyl)phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one CAS Name: 6-ethyl-6-[4-(3-methylbutoxymethyl)phenyl]-7-pyrrolo[2,1-d][1,5]benzoxazepinone IUPAC Name: 6-ethyl-6-[4-(3-methylbutoxymethyl)phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one Traditional Name: 6-ethyl-6-[4-(isoamoxymethyl)phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one Formula: C26H29NO3 MolecularWeight: 403.51336

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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/C26H29NO3/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/h5-14,16,19H,4,15,17-18H2,1-3H3