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4-[3-[4-(4-methylpiperazin-1-yl)carbonylphenyl]prop-2-ynylamino]benzenecarboximidamide

4-[3-[4-(4-methylpiperazin-1-yl)carbonylphenyl]prop-2-ynylamino]benzenecarboximidamide

Systemtic Name:4-[3-[4-(4-methylpiperazin-1-yl)carbonylphenyl]prop-2-ynylamino]benzenecarboximidamide
Openeye Name:4-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine
CAS Name:4-[3-[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]prop-2-ynylamino]benzenecarboximidamide
IUPAC Name:4-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide
Traditional Name:4-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine
Formula: C22H25N5O
MolecularWeight: 375.4668
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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N


Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N


InChI

InChI=1S/C22H25N5O/c1-26-13-15-27(16-14-26)22(28)19-6-4-17(5-7-19)3-2-12-25-20-10-8-18(9-11-20)21(23)24/h4-11,25H,12-16H2,1H3,(H3,23,24)


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