2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-(furan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-(furan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-(2-furylmethyl)quinazolin-4-one CAS Name: 2-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-3-(2-furanylmethyl)-4-quinazolinone IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-3-(2-furfuryl)quinazolin-4-one Formula: C24H31N5O4S MolecularWeight: 485.59904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C24H31N5O4S/c30-24-21-9-3-4-10-22(21)25-23(29(24)18-20-8-7-17-33-20)19-26-13-15-28(16-14-26)34(31,32)27-11-5-1-2-6-12-27/h3-4,7-10,17H,1-2,5-6,11-16,18-19H2