N-[(E)-[4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]adamantane-1-carboxamide

Systemtic Name: N-[(E)-[4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]adamantane-1-carboxamide Openeye Name: N-[(E)-[3-(2-methoxyanilino)-1-methyl-3-oxo-propylidene]amino]adamantane-1-carboxamide CAS Name: N-[(E)-[4-(2-methoxyanilino)-4-oxobutan-2-ylidene]amino]-1-adamantanecarboxamide IUPAC Name: N-[(E)-[4-(2-methoxyanilino)-4-oxobutan-2-ylidene]amino]adamantane-1-carboxamide Traditional Name: N-[(E)-[3-keto-1-methyl-3-(o-anisidino)propylidene]amino]adamantane-1-carboxamide Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C12CC3CC(C1)CC(C3)C2)CC(=O)NC4=CC=CC=C4OC

Isomeric SMILES

C/C(=N\NC(=O)C12CC3CC(C1)CC(C3)C2)/CC(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C22H29N3O3/c1-14(7-20(26)23-18-5-3-4-6-19(18)28-2)24-25-21(27)22-11-15-8-16(12-22)10-17(9-15)13-22/h3-6,15-17H,7-13H2,1-2H3,(H,23,26)(H,25,27)/b24-14+