N-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide

Systemtic Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide Openeye Name: N-[(E)-(4-dimethylaminophenyl)methyleneamino]-3-(p-tolyl)adamantane-1-carboxamide CAS Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-(4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide Traditional Name: N-[(E)-[4-(dimethylamino)benzylidene]amino]-3-(p-tolyl)adamantane-1-carboxamide Formula: C27H33N3O MolecularWeight: 415.57042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NN=CC5=CC=C(C=C5)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N/N=C/C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C27H33N3O/c1-19-4-8-23(9-5-19)26-13-21-12-22(14-26)16-27(15-21,18-26)25(31)29-28-17-20-6-10-24(11-7-20)30(2)3/h4-11,17,21-22H,12-16,18H2,1-3H3,(H,29,31)/b28-17+