2-[[3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[3-(2-hydroxyethyl)-4-(3-thienylmethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[3-(2-hydroxyethyl)-4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[3-(2-hydroxyethyl)-4-(3-thenyl)piperazino]methyl]-4-quinolone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC(=O)C3=CC=CC=C3N2)CCO)CC4=CSC=C4

Isomeric SMILES

C1CN(C(CN1CC2=CC(=O)C3=CC=CC=C3N2)CCO)CC4=CSC=C4

InChI

InChI=1S/C21H25N3O2S/c25-9-5-18-14-23(7-8-24(18)12-16-6-10-27-15-16)13-17-11-21(26)19-3-1-2-4-20(19)22-17/h1-4,6,10-11,15,18,25H,5,7-9,12-14H2,(H,22,26)