9-(4-tert-butylphenyl)-5-ethanoyl-6-pyridin-3-yl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-(4-tert-butylphenyl)-5-ethanoyl-6-pyridin-3-yl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-9-(4-tert-butylphenyl)-6-(3-pyridyl)-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-9-(4-tert-butylphenyl)-6-(3-pyridinyl)-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-9-(4-tert-butylphenyl)-6-pyridin-3-yl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-9-(4-tert-butylphenyl)-6-(3-pyridyl)-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C30H31N3O2 MolecularWeight: 465.58604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2C(=NC3=CC=CC=C31)CC(CC2=O)C4=CC=C(C=C4)C(C)(C)C)C5=CN=CC=C5

Isomeric SMILES

CC(=O)N1C(C2C(=NC3=CC=CC=C31)CC(CC2=O)C4=CC=C(C=C4)C(C)(C)C)C5=CN=CC=C5

InChI

InChI=1S/C30H31N3O2/c1-19(34)33-26-10-6-5-9-24(26)32-25-16-22(20-11-13-23(14-12-20)30(2,3)4)17-27(35)28(25)29(33)21-8-7-15-31-18-21/h5-15,18,22,28-29H,16-17H2,1-4H3