N-[4-[(E)-N-[2-(1-adamantyl)ethanoylamino]-C-methyl-carbonimidoyl]phenyl]cyclobutanecarboxamide

Systemtic Name: N-[4-[(E)-N-[2-(1-adamantyl)ethanoylamino]-C-methyl-carbonimidoyl]phenyl]cyclobutanecarboxamide Openeye Name: N-[4-[(E)-N-[[2-(1-adamantyl)acetyl]amino]-C-methyl-carbonimidoyl]phenyl]cyclobutanecarboxamide CAS Name: N-[4-[(1E)-1-[[2-(1-adamantyl)-1-oxoethyl]hydrazinylidene]ethyl]phenyl]cyclobutanecarboxamide IUPAC Name: N-[4-[(E)-N-[[2-(1-adamantyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]cyclobutanecarboxamide Traditional Name: N-[4-[(E)-N-[[2-(1-adamantyl)acetyl]amino]-C-methyl-carbonimidoyl]phenyl]cyclobutanecarboxamide Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC12CC3CC(C1)CC(C3)C2)C4=CC=C(C=C4)NC(=O)C5CCC5

Isomeric SMILES

C/C(=N\NC(=O)CC12CC3CC(C1)CC(C3)C2)/C4=CC=C(C=C4)NC(=O)C5CCC5

InChI

InChI=1S/C25H33N3O2/c1-16(20-5-7-22(8-6-20)26-24(30)21-3-2-4-21)27-28-23(29)15-25-12-17-9-18(13-25)11-19(10-17)14-25/h5-8,17-19,21H,2-4,9-15H2,1H3,(H,26,30)(H,28,29)/b27-16+