1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethanone Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-[4-[2-(3-thienyl)quinazolin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[4-[2-(3-thiophenyl)-4-quinazolinyl]-1-piperazinyl]ethanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethanone Traditional Name: 1-(3,5-dimethylpiperidino)-2-[4-[2-(3-thienyl)quinazolin-4-yl]piperazino]ethanone Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5)C

InChI

InChI=1S/C25H31N5OS/c1-18-13-19(2)15-30(14-18)23(31)16-28-8-10-29(11-9-28)25-21-5-3-4-6-22(21)26-24(27-25)20-7-12-32-17-20/h3-7,12,17-19H,8-11,13-16H2,1-2H3