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

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepane Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepane CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-[2-(1-naphthalenyl)ethylsulfonyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepane Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepane Formula: C23H29ClN4O2S MolecularWeight: 461.01996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43)Cl)C

InChI

InChI=1S/C23H29ClN4O2S/c1-18-22(23(24)26(2)25-18)17-27-12-6-13-28(15-14-27)31(29,30)16-11-20-9-5-8-19-7-3-4-10-21(19)20/h3-5,7-10H,6,11-17H2,1-2H3