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

Systemtic Name: 9-(4-tert-butylphenyl)-5-propanoyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-(4-tert-butylphenyl)-5-propanoyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 9-(4-tert-butylphenyl)-5-(1-oxopropyl)-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-(4-tert-butylphenyl)-5-propanoyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-(4-tert-butylphenyl)-5-propionyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C30H32N2O2S MolecularWeight: 484.65228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O2S/c1-5-27(34)32-24-10-7-6-9-22(24)31-23-17-20(19-12-14-21(15-13-19)30(2,3)4)18-25(33)28(23)29(32)26-11-8-16-35-26/h6-16,20,29,31H,5,17-18H2,1-4H3