(3R,5S)-N-[(Z)-(4-dimethylaminophenyl)methylideneamino]-3,5-dimethyl-adamantane-1-carboxamide

Systemtic Name: (3R,5S)-N-[(Z)-(4-dimethylaminophenyl)methylideneamino]-3,5-dimethyl-adamantane-1-carboxamide Openeye Name: (3R,5S)-N-[(Z)-(4-dimethylaminophenyl)methyleneamino]-3,5-dimethyl-adamantane-1-carboxamide CAS Name: (3R,5S)-N-[(Z)-(4-dimethylaminophenyl)methylideneamino]-3,5-dimethyl-1-adamantanecarboxamide IUPAC Name: (3R,5S)-N-[(Z)-(4-dimethylaminophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide Traditional Name: (3R,5S)-N-[(Z)-[4-(dimethylamino)benzylidene]amino]-3,5-dimethyl-adamantane-1-carboxamide Formula: C22H31N3O MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NN=CC4=CC=C(C=C4)N(C)C)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)N/N=C\C4=CC=C(C=C4)N(C)C)C

InChI

InChI=1S/C22H31N3O/c1-20-9-17-10-21(2,13-20)15-22(11-17,14-20)19(26)24-23-12-16-5-7-18(8-6-16)25(3)4/h5-8,12,17H,9-11,13-15H2,1-4H3,(H,24,26)/b23-12-/t17?,20-,21+,22?