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

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-naphthyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-(2-naphthalenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-naphthyl)-1,4-diazepane-1-carboxamide Formula: C22H26ClN5O MolecularWeight: 411.92774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NC3=CC4=CC=CC=C4C=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NC3=CC4=CC=CC=C4C=C3)Cl)C

InChI

InChI=1S/C22H26ClN5O/c1-16-20(21(23)26(2)25-16)15-27-10-5-11-28(13-12-27)22(29)24-19-9-8-17-6-3-4-7-18(17)14-19/h3-4,6-9,14H,5,10-13,15H2,1-2H3,(H,24,29)