5-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]-8-prop-2-ynoxy-1H-quinolin-2-one

Systemtic Name: 5-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]-8-prop-2-ynoxy-1H-quinolin-2-one Openeye Name: 5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-8-prop-2-ynoxy-1H-quinolin-2-one CAS Name: 5-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]-8-prop-2-ynoxy-1H-quinolin-2-one IUPAC Name: 5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-8-prop-2-ynoxy-1H-quinolin-2-one Traditional Name: 5-[2-hydroxy-3-(4-phenylpiperazino)propoxy]-8-propargyloxy-carbostyril Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C4=CC=CC=C4)O)C=CC(=O)N2

Isomeric SMILES

C#CCOC1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C4=CC=CC=C4)O)C=CC(=O)N2

InChI

InChI=1S/C25H27N3O4/c1-2-16-31-23-10-9-22(21-8-11-24(30)26-25(21)23)32-18-20(29)17-27-12-14-28(15-13-27)19-6-4-3-5-7-19/h1,3-11,20,29H,12-18H2,(H,26,30)