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

Systemtic Name: N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide Openeye Name: N-[(E)-(4-isopentyloxyphenyl)methyleneamino]-3-(p-tolyl)adamantane-1-carboxamide CAS Name: N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-3-(4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide Traditional Name: N-[(E)-(4-isoamoxybenzylidene)amino]-3-(p-tolyl)adamantane-1-carboxamide Formula: C30H38N2O2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O2/c1-21(2)12-13-34-27-10-6-23(7-11-27)19-31-32-28(33)30-17-24-14-25(18-30)16-29(15-24,20-30)26-8-4-22(3)5-9-26/h4-11,19,21,24-25H,12-18,20H2,1-3H3,(H,32,33)/b31-19+