N-[(E)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]-4-tert-butyl-benzamide

Systemtic Name: N-[(E)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]-4-tert-butyl-benzamide Openeye Name: N-[(E)-[3-(1-adamantylamino)-1-methyl-3-oxo-propylidene]amino]-4-tert-butyl-benzamide CAS Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-4-tert-butylbenzamide IUPAC Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-4-tert-butylbenzamide Traditional Name: N-[(E)-[3-(1-adamantylamino)-3-keto-1-methyl-propylidene]amino]-4-tert-butyl-benzamide Formula: C25H35N3O2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)C(C)(C)C)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)C(C)(C)C)/CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H35N3O2/c1-16(27-28-23(30)20-5-7-21(8-6-20)24(2,3)4)9-22(29)26-25-13-17-10-18(14-25)12-19(11-17)15-25/h5-8,17-19H,9-15H2,1-4H3,(H,26,29)(H,28,30)/b27-16+