6-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]pyridine-3-carbonitrile Openeye Name: 6-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]pyridine-3-carbonitrile CAS Name: 6-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]pyridine-3-carbonitrile Traditional Name: 6-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]nicotinonitrile Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=NC=C(C=C2)C#N)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=NC=C(C=C2)C#N)C(=O)N3CCCC3

InChI

InChI=1S/C21H20N4O/c1-16-13-17(6-8-19(16)21(26)25-11-2-3-12-25)5-4-10-23-20-9-7-18(14-22)15-24-20/h6-9,13,15H,2-3,10-12H2,1H3,(H,23,24)