1-(3-methylphenyl)-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole

Systemtic Name: 1-(3-methylphenyl)-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole Openeye Name: 1-(m-tolyl)-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole CAS Name: 1-(3-methylphenyl)-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole IUPAC Name: 1-(3-methylphenyl)-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole Traditional Name: 1-(m-tolyl)-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole Formula: C18H16N2O MolecularWeight: 276.33244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(CCOC4=CC=CC=C43)C=N2

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(CCOC4=CC=CC=C43)C=N2

InChI

InChI=1S/C18H16N2O/c1-13-5-4-6-15(11-13)20-18-14(12-19-20)9-10-21-17-8-3-2-7-16(17)18/h2-8,11-12H,9-10H2,1H3