6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzoxazepine-3-carbaldehyde

Systemtic Name: 6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzoxazepine-3-carbaldehyde Openeye Name: 5-benzyl-6-oxo-benzo[b][1,4]benzoxazepine-3-carbaldehyde CAS Name: 6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzoxazepinecarboxaldehyde IUPAC Name: 5-benzyl-6-oxobenzo[b][1,4]benzoxazepine-3-carbaldehyde Traditional Name: 5-benzyl-6-keto-benzo[b][1,4]benzoxazepine-3-carbaldehyde Formula: C21H15NO3 MolecularWeight: 329.3487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C=O)OC4=CC=CC=C4C2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C=O)OC4=CC=CC=C4C2=O

InChI

InChI=1S/C21H15NO3/c23-14-16-10-11-20-18(12-16)22(13-15-6-2-1-3-7-15)21(24)17-8-4-5-9-19(17)25-20/h1-12,14H,13H2