5-cyclopropylcarbonyl-6-(2,6-ditert-butyl-4-oxidanyl-phenyl)-9-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 5-cyclopropylcarbonyl-6-(2,6-ditert-butyl-4-oxidanyl-phenyl)-9-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-(cyclopropanecarbonyl)-6-(2,6-ditert-butyl-4-hydroxy-phenyl)-9-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-[cyclopropyl(oxo)methyl]-6-(2,6-ditert-butyl-4-hydroxyphenyl)-9-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-(cyclopropanecarbonyl)-6-(2,6-ditert-butyl-4-hydroxyphenyl)-9-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-(cyclopropanecarbonyl)-6-(2,6-ditert-butyl-4-hydroxy-phenyl)-9-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C37H41FN2O3 MolecularWeight: 580.731443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5N2C(=O)C6CC6)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5N2C(=O)C6CC6)C(C)(C)C)O

InChI

InChI=1S/C37H41FN2O3/c1-36(2,3)26-19-25(41)20-27(37(4,5)6)32(26)34-33-29(17-23(18-31(33)42)21-13-15-24(38)16-14-21)39-28-9-7-8-10-30(28)40(34)35(43)22-11-12-22/h7-10,13-16,19-20,22-23,34,39,41H,11-12,17-18H2,1-6H3