4-[2-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline hydrochloride

Systemtic Name: 4-[2-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline hydrochloride Openeye Name: 4-[2-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline hydrochloride CAS Name: 4-[2-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline hydrochloride IUPAC Name: 4-[2-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline hydrochloride Traditional Name: 4-[2-(4-mesylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline hydrochloride Formula: C23H25ClN6O2S MolecularWeight: 485.0016

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2CNCCCN2C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2CNCCCN2C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5.Cl

InChI

InChI=1S/C23H24N6O2S.ClH/c1-32(30,31)19-6-3-16(4-7-19)22-14-24-9-2-10-29(22)23-20-11-17(18-12-27-28-13-18)5-8-21(20)25-15-26-23;/h3-8,11-13,15,22,24H,2,9-10,14H2,1H3,(H,27,28);1H