N-[4-[3-[(3-cyanophenyl)-methyl-amino]prop-1-ynyl]-2-methyl-phenyl]-N-cyclopentyl-ethanamide

Systemtic Name: N-[4-[3-[(3-cyanophenyl)-methyl-amino]prop-1-ynyl]-2-methyl-phenyl]-N-cyclopentyl-ethanamide Openeye Name: N-[4-[3-(3-cyano-N-methyl-anilino)prop-1-ynyl]-2-methyl-phenyl]-N-cyclopentyl-acetamide CAS Name: N-[4-[3-(3-cyano-N-methylanilino)prop-1-ynyl]-2-methylphenyl]-N-cyclopentylacetamide IUPAC Name: N-[4-[3-(3-cyano-N-methylanilino)prop-1-ynyl]-2-methylphenyl]-N-cyclopentylacetamide Traditional Name: N-[4-[3-(3-cyano-N-methyl-anilino)prop-1-ynyl]-2-methyl-phenyl]-N-cyclopentyl-acetamide Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C#N)N(C3CCCC3)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C#N)N(C3CCCC3)C(=O)C

InChI

InChI=1S/C25H27N3O/c1-19-16-21(9-7-15-27(3)24-12-6-8-22(17-24)18-26)13-14-25(19)28(20(2)29)23-10-4-5-11-23/h6,8,12-14,16-17,23H,4-5,10-11,15H2,1-3H3