(E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-mesyl-1,4-diazepan-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3S/c1-26(24,25)21-11-5-10-20(12-13-21)18(23)9-8-16-14-19-22(15-16)17-6-3-2-4-7-17/h2-4,6-9,14-15H,5,10-13H2,1H3/b9-8+