N-[4-[2-(2-adamantyl)-4,4-dimethyl-3-oxidanylidene-1,2-diazetidin-1-yl]phenyl]benzamide

Systemtic Name: N-[4-[2-(2-adamantyl)-4,4-dimethyl-3-oxidanylidene-1,2-diazetidin-1-yl]phenyl]benzamide Openeye Name: N-[4-[2-(2-adamantyl)-4,4-dimethyl-3-oxo-diazetidin-1-yl]phenyl]benzamide CAS Name: N-[4-[2-(2-adamantyl)-4,4-dimethyl-3-oxo-1-diazetidinyl]phenyl]benzamide IUPAC Name: N-[4-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]phenyl]benzamide Traditional Name: N-[4-[2-(2-adamantyl)-3-keto-4,4-dimethyl-diazetidin-1-yl]phenyl]benzamide Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(N1C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C4C5CC6CC(C5)CC4C6)C

Isomeric SMILES

CC1(C(=O)N(N1C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C4C5CC6CC(C5)CC4C6)C

InChI

InChI=1S/C27H31N3O2/c1-27(2)26(32)29(24-20-13-17-12-18(15-20)16-21(24)14-17)30(27)23-10-8-22(9-11-23)28-25(31)19-6-4-3-5-7-19/h3-11,17-18,20-21,24H,12-16H2,1-2H3,(H,28,31)