3-[3-[3-methyl-4-(2-methylpropanoyl)phenyl]prop-2-ynyl-(phenylmethyl)amino]benzenecarbonitrile

Systemtic Name: 3-[3-[3-methyl-4-(2-methylpropanoyl)phenyl]prop-2-ynyl-(phenylmethyl)amino]benzenecarbonitrile Openeye Name: 3-[benzyl-[3-[3-methyl-4-(2-methylpropanoyl)phenyl]prop-2-ynyl]amino]benzonitrile CAS Name: 3-[3-[3-methyl-4-(2-methyl-1-oxopropyl)phenyl]prop-2-ynyl-(phenylmethyl)amino]benzonitrile IUPAC Name: 3-[benzyl-[3-[3-methyl-4-(2-methylpropanoyl)phenyl]prop-2-ynyl]amino]benzonitrile Traditional Name: 3-[benzyl-[3-(4-isobutyryl-3-methyl-phenyl)prop-2-ynyl]amino]benzonitrile Formula: C28H26N2O MolecularWeight: 406.51884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC=C2)C3=CC=CC(=C3)C#N)C(=O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC=C2)C3=CC=CC(=C3)C#N)C(=O)C(C)C

InChI

InChI=1S/C28H26N2O/c1-21(2)28(31)27-15-14-23(17-22(27)3)12-8-16-30(20-24-9-5-4-6-10-24)26-13-7-11-25(18-26)19-29/h4-7,9-11,13-15,17-18,21H,16,20H2,1-3H3