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

Systemtic Name: N-but-3-yn-2-yl-4-[3-[(3-cyanophenyl)-methyl-amino]prop-1-ynyl]-2-methyl-benzamide Openeye Name: 4-[3-(3-cyano-N-methyl-anilino)prop-1-ynyl]-2-methyl-N-(1-methylprop-2-ynyl)benzamide CAS Name: N-but-3-yn-2-yl-4-[3-(3-cyano-N-methylanilino)prop-1-ynyl]-2-methylbenzamide IUPAC Name: N-but-3-yn-2-yl-4-[3-(3-cyano-N-methylanilino)prop-1-ynyl]-2-methylbenzamide Traditional Name: 4-[3-(3-cyano-N-methyl-anilino)prop-1-ynyl]-2-methyl-N-(1-methylprop-2-ynyl)benzamide Formula: C23H21N3O MolecularWeight: 355.43234

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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)NC(C)C#C

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O/c1-5-18(3)25-23(27)22-12-11-19(14-17(22)2)9-7-13-26(4)21-10-6-8-20(15-21)16-24/h1,6,8,10-12,14-15,18H,13H2,2-4H3,(H,25,27)