6-(1,3-benzodioxol-5-yl)-9-phenyl-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-9-phenyl-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-9-phenyl-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(1,3-benzodioxol-5-yl)-5-(1-oxopropyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(1,3-benzodioxol-5-yl)-9-phenyl-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-9-phenyl-5-propionyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C29H26N2O4 MolecularWeight: 466.52774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H26N2O4/c1-2-27(33)31-23-11-7-6-10-21(23)30-22-14-20(18-8-4-3-5-9-18)15-24(32)28(22)29(31)19-12-13-25-26(16-19)35-17-34-25/h3-13,16,20,29-30H,2,14-15,17H2,1H3