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

Systemtic Name: 4-[3-[(4-cyanophenyl)-methyl-amino]prop-1-ynyl]-N,2,5-trimethyl-N-phenyl-benzamide Openeye Name: 4-[3-(4-cyano-N-methyl-anilino)prop-1-ynyl]-N,2,5-trimethyl-N-phenyl-benzamide CAS Name: 4-[3-(4-cyano-N-methylanilino)prop-1-ynyl]-N,2,5-trimethyl-N-phenylbenzamide IUPAC Name: 4-[3-(4-cyano-N-methylanilino)prop-1-ynyl]-N,2,5-trimethyl-N-phenylbenzamide Traditional Name: 4-[3-(4-cyano-N-methyl-anilino)prop-1-ynyl]-N,2,5-trimethyl-N-phenyl-benzamide Formula: C27H25N3O MolecularWeight: 407.5069

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O/c1-20-18-26(27(31)30(4)25-10-6-5-7-11-25)21(2)17-23(20)9-8-16-29(3)24-14-12-22(19-28)13-15-24/h5-7,10-15,17-18H,16H2,1-4H3