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

Systemtic Name: 5-(2-methylpropanoyl)-9-phenyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-(2-methylpropanoyl)-9-phenyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-(2-methyl-1-oxopropyl)-9-phenyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-(2-methylpropanoyl)-9-phenyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-isobutyryl-9-phenyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O2S/c1-17(2)27(31)29-22-12-7-6-11-20(22)28-21-15-19(18-9-4-3-5-10-18)16-23(30)25(21)26(29)24-13-8-14-32-24/h3-14,17,19,26,28H,15-16H2,1-2H3