N-[1-[2-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-4-oxidanylidene-4-phenyl-butanamide

Systemtic Name: N-[1-[2-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-4-oxidanylidene-4-phenyl-butanamide Openeye Name: N-[1-[2-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]pyrazol-4-yl]-4-oxo-4-phenyl-butanamide CAS Name: N-[1-[2-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-pyrazolyl]-4-oxo-4-phenylbutanamide IUPAC Name: N-[1-[2-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide Traditional Name: 4-keto-N-[1-[2-keto-2-(4-m-anisylpiperazin-4-ium-1-yl)ethyl]pyrazol-4-yl]-4-phenyl-butyramide Formula: C27H32N5O4+ MolecularWeight: 490.57408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)CN3C=C(C=N3)NC(=O)CCC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)CN3C=C(C=N3)NC(=O)CCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N5O4/c1-36-24-9-5-6-21(16-24)18-30-12-14-31(15-13-30)27(35)20-32-19-23(17-28-32)29-26(34)11-10-25(33)22-7-3-2-4-8-22/h2-9,16-17,19H,10-15,18,20H2,1H3,(H,29,34)/p+1