1-(azepan-1-yl)-2-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-(3-thienyl)quinazolin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[2-(3-thiophenyl)-4-quinazolinyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(3-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=CSC=C5

Isomeric SMILES

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

InChI

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