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

Systemtic Name: 4-[3-[3-methyl-4-(1-methylimidazol-2-yl)carbonyl-phenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 4-[3-[3-methyl-4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-ynylamino]benzamidine CAS Name: 4-[3-[3-methyl-4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 4-[3-[3-methyl-4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 4-[3-[3-methyl-4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-ynylamino]benzamidine Formula: C22H21N5O MolecularWeight: 371.43504

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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)C3=NC=CN3C

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)C3=NC=CN3C

InChI

InChI=1S/C22H21N5O/c1-15-14-16(5-10-19(15)20(28)22-26-12-13-27(22)2)4-3-11-25-18-8-6-17(7-9-18)21(23)24/h5-10,12-14,25H,11H2,1-2H3,(H3,23,24)