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

Systemtic Name: 5-cyclopropylcarbonyl-9-phenyl-6-thiophen-2-yl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-(cyclopropanecarbonyl)-9-phenyl-6-(2-thienyl)-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-[cyclopropyl(oxo)methyl]-9-phenyl-6-thiophen-2-yl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-(cyclopropanecarbonyl)-9-phenyl-6-thiophen-2-yl-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-(cyclopropanecarbonyl)-9-phenyl-6-(2-thienyl)-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C27H24N2O2S MolecularWeight: 440.55666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2C(C3C(=NC4=CC=CC=C42)CC(CC3=O)C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

C1CC1C(=O)N2C(C3C(=NC4=CC=CC=C42)CC(CC3=O)C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C27H24N2O2S/c30-23-16-19(17-7-2-1-3-8-17)15-21-25(23)26(24-11-6-14-32-24)29(27(31)18-12-13-18)22-10-5-4-9-20(22)28-21/h1-11,14,18-19,25-26H,12-13,15-16H2