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

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-iodanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide Formula: C18H23ClIN5O MolecularWeight: 487.76559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I)Cl)C

InChI

InChI=1S/C18H23ClIN5O/c1-13-14(17(19)23(2)22-13)12-24-8-5-9-25(11-10-24)18(26)21-16-7-4-3-6-15(16)20/h3-4,6-7H,5,8-12H2,1-2H3,(H,21,26)