4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butoxy]-1-methyl-quinolin-2-one

Systemtic Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butoxy]-1-methyl-quinolin-2-one Openeye Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-butoxy]-1-methyl-quinolin-2-one CAS Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-oxobutoxy]-1-methyl-2-quinolinone IUPAC Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutoxy]-1-methylquinolin-2-one Traditional Name: 4-[4-keto-4-(4-piperonylpiperazino)butoxy]-1-methyl-carbostyril Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N3O5/c1-27-21-6-3-2-5-20(21)23(16-26(27)31)32-14-4-7-25(30)29-12-10-28(11-13-29)17-19-8-9-22-24(15-19)34-18-33-22/h2-3,5-6,8-9,15-16H,4,7,10-14,17-18H2,1H3