3-[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-1-phenyl-pyrazol-3-yl]chromen-2-one

Systemtic Name: 3-[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-1-phenyl-pyrazol-3-yl]chromen-2-one Openeye Name: 3-[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-1-phenyl-pyrazol-3-yl]chromen-2-one CAS Name: 3-[4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]-1-phenyl-3-pyrazolyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-1-phenylpyrazol-3-yl]chromen-2-one Traditional Name: 3-[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-1-phenyl-pyrazol-3-yl]coumarin Formula: C24H24N5O2+ MolecularWeight: 414.47966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

InChI

InChI=1S/C24H23N5O2/c1-27-11-13-28(14-12-27)25-16-19-17-29(20-8-3-2-4-9-20)26-23(19)21-15-18-7-5-6-10-22(18)31-24(21)30/h2-10,15-17H,11-14H2,1H3/p+1/b25-16-