4-[3-[4-(3-azanylpyrrolidin-1-yl)carbonyl-3-methyl-phenyl]prop-2-ynylamino]benzenecarboximidamide

Systemtic Name: 4-[3-[4-(3-azanylpyrrolidin-1-yl)carbonyl-3-methyl-phenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 4-[3-[4-(3-aminopyrrolidine-1-carbonyl)-3-methyl-phenyl]prop-2-ynylamino]benzamidine CAS Name: 4-[3-[4-[(3-amino-1-pyrrolidinyl)-oxomethyl]-3-methylphenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 4-[3-[4-(3-aminopyrrolidine-1-carbonyl)-3-methylphenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 4-[3-[4-(3-aminopyrrolidine-1-carbonyl)-3-methyl-phenyl]prop-2-ynylamino]benzamidine Formula: C22H25N5O MolecularWeight: 375.4668

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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)N3CCC(C3)N

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)N3CCC(C3)N

InChI

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