2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-7-chloro-1H-quinazolin-4-one Formula: C19H26ClN5O3S MolecularWeight: 439.95944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C19H26ClN5O3S/c20-15-5-6-16-17(13-15)21-18(22-19(16)26)14-23-9-11-25(12-10-23)29(27,28)24-7-3-1-2-4-8-24/h5-6,13H,1-4,7-12,14H2,(H,21,22,26)