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

Systemtic Name: 4-(1-adamantylcarbonyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(adamantane-1-carbonyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[1-adamantyl(oxo)methyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(adamantane-1-carbonyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(adamantane-1-carbonyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O2/c1-17-7-8-23-22(9-17)25(21-5-3-2-4-6-21)29(16-24(30)28-23)26(31)27-13-18-10-19(14-27)12-20(11-18)15-27/h2-9,18-20,25H,10-16H2,1H3,(H,28,30)