2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-1-[(3S)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-[(3S)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[4-(2-furoyl)piperazin-1-ium-1-yl]-1-[(5S)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C30H29N4O3+ MolecularWeight: 493.57626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C(=O)C6=CC=CO6

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C(=O)C6=CC=CO6

InChI

InChI=1S/C30H28N4O3/c35-29(21-32-14-16-33(17-15-32)30(36)28-11-6-18-37-28)34-27(23-8-2-1-3-9-23)20-26(31-34)25-13-12-22-7-4-5-10-24(22)19-25/h1-13,18-19,27H,14-17,20-21H2/p+1/t27-/m0/s1