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1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(2-phenylethenylsulfonyl)-1,4-diazepane

1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(2-phenylethenylsulfonyl)-1,4-diazepane

Systemtic Name:1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(2-phenylethenylsulfonyl)-1,4-diazepane
Openeye Name:1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-styrylsulfonyl-1,4-diazepane
CAS Name:1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-(2-phenylethenylsulfonyl)-1,4-diazepane
IUPAC Name:1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2-phenylethenylsulfonyl)-1,4-diazepane
Traditional Name:1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-styrylsulfonyl-1,4-diazepane
Formula: C19H25ClN4O2S
MolecularWeight: 408.9454
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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)Cl)C


Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)Cl)C


InChI

InChI=1S/C19H25ClN4O2S/c1-16-18(19(20)22(2)21-16)15-23-10-6-11-24(13-12-23)27(25,26)14-9-17-7-4-3-5-8-17/h3-5,7-9,14H,6,10-13,15H2,1-2H3


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