5-chloranyl-3-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[3-(2-oxo-1-azepanyl)propyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-[3-(2-ketoazepan-1-yl)propyl]-3-methyl-pyrazole-4-carboxamide Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCN2CCCCCC2=O)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCN2CCCCCC2=O)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H27ClN4O2/c1-16-19(20(22)26(24-16)15-17-9-4-2-5-10-17)21(28)23-12-8-14-25-13-7-3-6-11-18(25)27/h2,4-5,9-10H,3,6-8,11-15H2,1H3,(H,23,28)