4-[3-[(4-cyanophenyl)-methyl-amino]prop-1-ynyl]-N,2,5-trimethyl-N-pyridin-2-yl-benzamide

Systemtic Name: 4-[3-[(4-cyanophenyl)-methyl-amino]prop-1-ynyl]-N,2,5-trimethyl-N-pyridin-2-yl-benzamide Openeye Name: 4-[3-(4-cyano-N-methyl-anilino)prop-1-ynyl]-N,2,5-trimethyl-N-(2-pyridyl)benzamide CAS Name: 4-[3-(4-cyano-N-methylanilino)prop-1-ynyl]-N,2,5-trimethyl-N-(2-pyridinyl)benzamide IUPAC Name: 4-[3-(4-cyano-N-methylanilino)prop-1-ynyl]-N,2,5-trimethyl-N-pyridin-2-ylbenzamide Traditional Name: 4-[3-(4-cyano-N-methyl-anilino)prop-1-ynyl]-N,2,5-trimethyl-N-(2-pyridyl)benzamide Formula: C26H24N4O MolecularWeight: 408.49496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCN(C)C2=CC=C(C=C2)C#N)C)C(=O)N(C)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1C#CCN(C)C2=CC=C(C=C2)C#N)C)C(=O)N(C)C3=CC=CC=N3

InChI

InChI=1S/C26H24N4O/c1-19-17-24(26(31)30(4)25-9-5-6-14-28-25)20(2)16-22(19)8-7-15-29(3)23-12-10-21(18-27)11-13-23/h5-6,9-14,16-17H,15H2,1-4H3