5-[1-(3-azanyl-2-oxidanyl-propyl)-5-methyl-pyrazol-3-yl]-2-chloranyl-N-[(1-oxidanylcycloheptyl)methyl]benzamide

Systemtic Name: 5-[1-(3-azanyl-2-oxidanyl-propyl)-5-methyl-pyrazol-3-yl]-2-chloranyl-N-[(1-oxidanylcycloheptyl)methyl]benzamide Openeye Name: 5-[1-(3-amino-2-hydroxy-propyl)-5-methyl-pyrazol-3-yl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide CAS Name: 5-[1-(3-amino-2-hydroxypropyl)-5-methyl-3-pyrazolyl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide IUPAC Name: 5-[1-(3-amino-2-hydroxypropyl)-5-methylpyrazol-3-yl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide Traditional Name: 5-[1-(3-amino-2-hydroxy-propyl)-5-methyl-pyrazol-3-yl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide Formula: C22H31ClN4O3 MolecularWeight: 434.95954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(CN)O)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O

Isomeric SMILES

CC1=CC(=NN1CC(CN)O)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O

InChI

InChI=1S/C22H31ClN4O3/c1-15-10-20(26-27(15)13-17(28)12-24)16-6-7-19(23)18(11-16)21(29)25-14-22(30)8-4-2-3-5-9-22/h6-7,10-11,17,28,30H,2-5,8-9,12-14,24H2,1H3,(H,25,29)