1-[3-(10-butylphenothiazin-3-yl)-5-cyclopentyl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[3-(10-butylphenothiazin-3-yl)-5-cyclopentyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[3-(10-butylphenothiazin-3-yl)-5-cyclopentyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-(10-butyl-3-phenothiazinyl)-5-cyclopentyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[3-(10-butylphenothiazin-3-yl)-5-cyclopentyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[5-(10-butylphenothiazin-3-yl)-3-cyclopentyl-2-pyrazolin-1-yl]ethanone Formula: C26H26N3OS MolecularWeight: 428.56914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C3CC(=NN3C(=O)C)[C]4[CH][CH][CH][CH]4)SC5=CC=CC=C51

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C3CC(=NN3C(=O)C)[C]4[CH][CH][CH][CH]4)SC5=CC=CC=C51

InChI

InChI=1S/C26H26N3OS/c1-3-4-15-28-22-11-7-8-12-25(22)31-26-16-20(13-14-23(26)28)24-17-21(19-9-5-6-10-19)27-29(24)18(2)30/h5-14,16,24H,3-4,15,17H2,1-2H3