5-ethanoyl-9-phenyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 5-ethanoyl-9-phenyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-9-phenyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-9-phenyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-9-phenyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-9-phenyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC=CS5

Isomeric SMILES

CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC=CS5

InChI

InChI=1S/C25H22N2O2S/c1-16(28)27-21-11-6-5-10-19(21)26-20-14-18(17-8-3-2-4-9-17)15-22(29)24(20)25(27)23-12-7-13-30-23/h2-13,18,25-26H,14-15H2,1H3