1-(azepan-1-yl)-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-(2-thienyl)quinazolin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(2-thiophen-2-yl-4-quinazolinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(2-thienyl)quinazolin-4-yl]piperazino]ethanone Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C24H29N5OS/c30-22(28-11-5-1-2-6-12-28)18-27-13-15-29(16-14-27)24-19-8-3-4-9-20(19)25-23(26-24)21-10-7-17-31-21/h3-4,7-10,17H,1-2,5-6,11-16,18H2