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

Systemtic Name: 3-[3-[4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-phenyl]prop-2-ynyl-methyl-amino]benzenecarbonitrile Openeye Name: 3-[3-[4-(2,5-dihydropyrrole-1-carbonyl)-3-methyl-phenyl]prop-2-ynyl-methyl-amino]benzonitrile CAS Name: 3-[3-[4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-3-methylphenyl]prop-2-ynyl-methylamino]benzonitrile IUPAC Name: 3-[3-[4-(2,5-dihydropyrrole-1-carbonyl)-3-methylphenyl]prop-2-ynyl-methylamino]benzonitrile Traditional Name: 3-[methyl-[3-[3-methyl-4-(3-pyrroline-1-carbonyl)phenyl]prop-2-ynyl]amino]benzonitrile 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)N3CC=CC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C#N)C(=O)N3CC=CC3

InChI

InChI=1S/C23H21N3O/c1-18-15-19(10-11-22(18)23(27)26-13-3-4-14-26)8-6-12-25(2)21-9-5-7-20(16-21)17-24/h3-5,7,9-11,15-16H,12-14H2,1-2H3