5-ethanoyl-6-pyridin-3-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 5-ethanoyl-6-pyridin-3-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-6-(3-pyridyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-6-(3-pyridinyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-6-pyridin-3-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-6-(3-pyridyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2C(=O)CCC=C2NC3=CC=CC=C31)C4=CN=CC=C4

Isomeric SMILES

CC(=O)N1C(C2C(=O)CCC=C2NC3=CC=CC=C31)C4=CN=CC=C4

InChI

InChI=1S/C20H19N3O2/c1-13(24)23-17-9-3-2-7-15(17)22-16-8-4-10-18(25)19(16)20(23)14-6-5-11-21-12-14/h2-3,5-9,11-12,19-20,22H,4,10H2,1H3