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4-[3-(3-methyl-4-pyrazolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]benzenecarboximidamide

4-[3-(3-methyl-4-pyrazolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]benzenecarboximidamide

Systemtic Name:4-[3-(3-methyl-4-pyrazolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]benzenecarboximidamide
Openeye Name:4-[3-[3-methyl-4-(pyrazolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine
CAS Name:4-[3-[3-methyl-4-[oxo(1-pyrazolidinyl)methyl]phenyl]prop-2-ynylamino]benzenecarboximidamide
IUPAC Name:4-[3-[3-methyl-4-(pyrazolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide
Traditional Name:4-[3-[3-methyl-4-(pyrazolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine
Formula: C21H23N5O
MolecularWeight: 361.44022
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCN3


Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCN3


InChI

InChI=1S/C21H23N5O/c1-15-14-16(5-10-19(15)21(27)26-13-3-12-25-26)4-2-11-24-18-8-6-17(7-9-18)20(22)23/h5-10,14,24-25H,3,11-13H2,1H3,(H3,22,23)


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