5-ethanoyl-6-(4-methylphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 5-ethanoyl-6-(4-methylphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-6-(p-tolyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-6-(4-methylphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-6-(4-methylphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-6-(p-tolyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=CC=CC=C4N2C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=CC=CC=C4N2C(=O)C

InChI

InChI=1S/C22H22N2O2/c1-14-10-12-16(13-11-14)22-21-18(7-5-9-20(21)26)23-17-6-3-4-8-19(17)24(22)15(2)25/h3-4,6,8,10-13,22-23H,5,7,9H2,1-2H3