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

Systemtic Name: 6-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]pyridine-3-carboximidamide Openeye Name: 6-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]pyridine-3-carboxamidine CAS Name: 6-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynylamino]-3-pyridinecarboximidamide IUPAC Name: 6-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]pyridine-3-carboximidamide Traditional Name: 6-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]nicotinamidine Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O/c1-15-13-16(6-8-18(15)21(27)26-11-2-3-12-26)5-4-10-24-19-9-7-17(14-25-19)20(22)23/h6-9,13-14H,2-3,10-12H2,1H3,(H3,22,23)(H,24,25)