4-(1-adamantylcarbonyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(1-adamantylcarbonyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(adamantane-1-carbonyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[1-adamantyl(oxo)methyl]-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(adamantane-1-carbonyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(adamantane-1-carbonyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C27H29FN2O2 MolecularWeight: 432.529763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=C(C=C3)F)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=C(C=C3)F)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29FN2O2/c1-16-2-7-23-22(8-16)25(20-3-5-21(28)6-4-20)30(15-24(31)29-23)26(32)27-12-17-9-18(13-27)11-19(10-17)14-27/h2-8,17-19,25H,9-15H2,1H3,(H,29,31)