4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 2-(3-pyridyl)-4-(4-tosyl-1,4-diazepan-1-yl)quinazoline Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H25N5O2S/c1-19-9-11-21(12-10-19)33(31,32)30-15-5-14-29(16-17-30)25-22-7-2-3-8-23(22)27-24(28-25)20-6-4-13-26-18-20/h2-4,6-13,18H,5,14-17H2,1H3