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

Systemtic Name: 9-(4-tert-butylphenyl)-7-oxidanylidene-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carbaldehyde Openeye Name: 9-(4-tert-butylphenyl)-7-oxo-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carbaldehyde CAS Name: 9-(4-tert-butylphenyl)-7-oxo-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxaldehyde IUPAC Name: 9-(4-tert-butylphenyl)-7-oxo-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carbaldehyde Traditional Name: 9-(4-tert-butylphenyl)-7-keto-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carbaldehyde Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C=O)C5=CC=CS5)C(=O)C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C=O)C5=CC=CS5)C(=O)C2

InChI

InChI=1S/C28H28N2O2S/c1-28(2,3)20-12-10-18(11-13-20)19-15-22-26(24(32)16-19)27(25-9-6-14-33-25)30(17-31)23-8-5-4-7-21(23)29-22/h4-14,17,19,27,29H,15-16H2,1-3H3