3-[3-[4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-phenyl]prop-2-ynyl-(phenylmethyl)amino]benzenecarbonitrile

Systemtic Name: 3-[3-[4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-phenyl]prop-2-ynyl-(phenylmethyl)amino]benzenecarbonitrile Openeye Name: 3-[benzyl-[3-[4-(2,5-dihydropyrrole-1-carbonyl)-3-methyl-phenyl]prop-2-ynyl]amino]benzonitrile CAS Name: 3-[3-[4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-3-methylphenyl]prop-2-ynyl-(phenylmethyl)amino]benzonitrile IUPAC Name: 3-[benzyl-[3-[4-(2,5-dihydropyrrole-1-carbonyl)-3-methylphenyl]prop-2-ynyl]amino]benzonitrile Traditional Name: 3-[benzyl-[3-[3-methyl-4-(3-pyrroline-1-carbonyl)phenyl]prop-2-ynyl]amino]benzonitrile Formula: C29H25N3O MolecularWeight: 431.5283

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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)N4CC=CC4

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC=C2)C3=CC=CC(=C3)C#N)C(=O)N4CC=CC4

InChI

InChI=1S/C29H25N3O/c1-23-19-24(14-15-28(23)29(33)31-16-5-6-17-31)12-8-18-32(22-25-9-3-2-4-10-25)27-13-7-11-26(20-27)21-30/h2-7,9-11,13-15,19-20H,16-18,22H2,1H3