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

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-p-anisyl-1,4-diazepane-1-carboxamide Formula: C20H28ClN5O2 MolecularWeight: 405.92162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NCC3=CC=C(C=C3)OC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NCC3=CC=C(C=C3)OC)Cl)C

InChI

InChI=1S/C20H28ClN5O2/c1-15-18(19(21)24(2)23-15)14-25-9-4-10-26(12-11-25)20(27)22-13-16-5-7-17(28-3)8-6-16/h5-8H,4,9-14H2,1-3H3,(H,22,27)