11,12,13,13a-tetrahydro-10H-isoquinolino[1,2-b][1,3]benzodiazepin-8-one

Systemtic Name: 11,12,13,13a-tetrahydro-10H-isoquinolino[1,2-b][1,3]benzodiazepin-8-one Openeye Name: 11,12,13,13a-tetrahydro-10H-isoquinolino[1,2-b][1,3]benzodiazepin-8-one CAS Name: 11,12,13,13a-tetrahydro-10H-isoquinolino[1,2-b][1,3]benzodiazepin-8-one IUPAC Name: 11,12,13,13a-tetrahydro-10H-isoquinolino[1,2-b][1,3]benzodiazepin-8-one Traditional Name: 11,12,13,13a-tetrahydro-10H-isoquinolino[1,2-b][1,3]benzodiazepin-8-one Formula: C17H16N2O MolecularWeight: 264.32174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=CC(=O)N3C=CC4=CC=CC=C4C3=NC2C1

Isomeric SMILES

C1CCC2=CC(=O)N3C=CC4=CC=CC=C4C3=NC2C1

InChI

InChI=1S/C17H16N2O/c20-16-11-13-6-2-4-8-15(13)18-17-14-7-3-1-5-12(14)9-10-19(16)17/h1,3,5,7,9-11,15H,2,4,6,8H2