4-[3-[2-azanyl-4-(phenylcarbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide

Systemtic Name: 4-[3-[2-azanyl-4-(phenylcarbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 4-[3-(2-amino-4-benzoyl-phenyl)prop-2-ynylamino]benzamidine CAS Name: 4-[3-(2-amino-4-benzoylphenyl)prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 4-[3-(2-amino-4-benzoylphenyl)prop-2-ynylamino]benzenecarboximidamide Traditional Name: 4-[3-(2-amino-4-benzoyl-phenyl)prop-2-ynylamino]benzamidine Formula: C23H20N4O MolecularWeight: 368.4311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)N

InChI

InChI=1S/C23H20N4O/c24-21-15-19(22(28)17-5-2-1-3-6-17)9-8-16(21)7-4-14-27-20-12-10-18(11-13-20)23(25)26/h1-3,5-6,8-13,15,27H,14,24H2,(H3,25,26)