(3S)-5-(1-adamantyl)-1-ethyl-3-methyl-7-oxidanyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: (3S)-5-(1-adamantyl)-1-ethyl-3-methyl-7-oxidanyl-3H-1,4-benzodiazepin-2-one Openeye Name: (3S)-5-(1-adamantyl)-1-ethyl-7-hydroxy-3-methyl-3H-1,4-benzodiazepin-2-one CAS Name: (3S)-5-(1-adamantyl)-1-ethyl-7-hydroxy-3-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: (3S)-5-(1-adamantyl)-1-ethyl-7-hydroxy-3-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: (3S)-5-(1-adamantyl)-1-ethyl-7-hydroxy-3-methyl-3H-1,4-benzodiazepin-2-one Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)O)C(=NC(C1=O)C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)O)C(=N[C@H](C1=O)C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N2O2/c1-3-24-19-5-4-17(25)9-18(19)20(23-13(2)21(24)26)22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,13-16,25H,3,6-8,10-12H2,1-2H3/t13-,14?,15?,16?,22?/m0/s1