6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-5-(3-methylbutanoyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-5-(3-methylbutanoyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-5-(3-methylbutanoyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-5-(3-methyl-1-oxobutyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-5-(3-methylbutanoyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-5-isovaleryl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C34H38FN3O2 MolecularWeight: 539.682823

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5N2C(=O)CC(C)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5N2C(=O)CC(C)C

InChI

InChI=1S/C34H38FN3O2/c1-5-37(6-2)27-17-13-24(14-18-27)34-33-29(20-25(21-31(33)39)23-11-15-26(35)16-12-23)36-28-9-7-8-10-30(28)38(34)32(40)19-22(3)4/h7-18,22,25,34,36H,5-6,19-21H2,1-4H3