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

Systemtic Name: N-[(E)-[4-[(4-methoxyphenyl)methylamino]-4-oxidanylidene-butan-2-ylidene]amino]adamantane-1-carboxamide Openeye Name: N-[(E)-[3-[(4-methoxyphenyl)methylamino]-1-methyl-3-oxo-propylidene]amino]adamantane-1-carboxamide CAS Name: N-[(E)-[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]-1-adamantanecarboxamide IUPAC Name: N-[(E)-[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]adamantane-1-carboxamide Traditional Name: N-[(E)-[3-keto-1-methyl-3-(p-anisylamino)propylidene]amino]adamantane-1-carboxamide Formula: C23H31N3O3 MolecularWeight: 397.51054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C12CC3CC(C1)CC(C3)C2)CC(=O)NCC4=CC=C(C=C4)OC

Isomeric SMILES

C/C(=N\NC(=O)C12CC3CC(C1)CC(C3)C2)/CC(=O)NCC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H31N3O3/c1-15(7-21(27)24-14-16-3-5-20(29-2)6-4-16)25-26-22(28)23-11-17-8-18(12-23)10-19(9-17)13-23/h3-6,17-19H,7-14H2,1-2H3,(H,24,27)(H,26,28)/b25-15+