4-[3-[(3-cyanophenyl)-methyl-amino]prop-1-ynyl]-2-methyl-N-(2-methylpropyl)benzamide

Systemtic Name: 4-[3-[(3-cyanophenyl)-methyl-amino]prop-1-ynyl]-2-methyl-N-(2-methylpropyl)benzamide Openeye Name: 4-[3-(3-cyano-N-methyl-anilino)prop-1-ynyl]-N-isobutyl-2-methyl-benzamide CAS Name: 4-[3-(3-cyano-N-methylanilino)prop-1-ynyl]-2-methyl-N-(2-methylpropyl)benzamide IUPAC Name: 4-[3-(3-cyano-N-methylanilino)prop-1-ynyl]-2-methyl-N-(2-methylpropyl)benzamide Traditional Name: 4-[3-(3-cyano-N-methyl-anilino)prop-1-ynyl]-N-isobutyl-2-methyl-benzamide Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O/c1-17(2)16-25-23(27)22-11-10-19(13-18(22)3)8-6-12-26(4)21-9-5-7-20(14-21)15-24/h5,7,9-11,13-14,17H,12,16H2,1-4H3,(H,25,27)