2-[1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[4-(1-azepanylsulfonyl)-1-piperazinyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[4-(azepan-1-ylsulfonyl)piperazino]ethyl]-1H-quinazolin-4-one Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H29N5O3S/c1-16(19-21-18-9-5-4-8-17(18)20(26)22-19)23-12-14-25(15-13-23)29(27,28)24-10-6-2-3-7-11-24/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3,(H,21,22,26)