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

Systemtic Name: 4-(1-adamantylcarbonyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(adamantane-1-carbonyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[1-adamantyl(oxo)methyl]-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(adamantane-1-carbonyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(adamantane-1-carbonyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H28N2O2S/c1-15-4-5-20-19(7-15)23(21-3-2-6-30-21)27(14-22(28)26-20)24(29)25-11-16-8-17(12-25)10-18(9-16)13-25/h2-7,16-18,23H,8-14H2,1H3,(H,26,28)