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

Systemtic Name: 3-[3-[4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-phenyl]prop-2-ynylamino]benzenecarbonitrile Openeye Name: 3-[3-[4-(2,5-dihydropyrrole-1-carbonyl)-3-methyl-phenyl]prop-2-ynylamino]benzonitrile CAS Name: 3-[3-[4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-3-methylphenyl]prop-2-ynylamino]benzonitrile IUPAC Name: 3-[3-[4-(2,5-dihydropyrrole-1-carbonyl)-3-methylphenyl]prop-2-ynylamino]benzonitrile Traditional Name: 3-[3-[3-methyl-4-(3-pyrroline-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrile Formula: C22H19N3O MolecularWeight: 341.40576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC=CC(=C2)C#N)C(=O)N3CC=CC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=CC(=C2)C#N)C(=O)N3CC=CC3

InChI

InChI=1S/C22H19N3O/c1-17-14-18(9-10-21(17)22(26)25-12-2-3-13-25)7-5-11-24-20-8-4-6-19(15-20)16-23/h2-4,6,8-10,14-15,24H,11-13H2,1H3