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

Systemtic Name: 5-[1-(2-azanylethyl)-5-methyl-pyrazol-3-yl]-2-chloranyl-N-[(1-oxidanylcycloheptyl)methyl]benzamide Openeye Name: 5-[1-(2-aminoethyl)-5-methyl-pyrazol-3-yl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide CAS Name: 5-[1-(2-aminoethyl)-5-methyl-3-pyrazolyl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide IUPAC Name: 5-[1-(2-aminoethyl)-5-methylpyrazol-3-yl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide Traditional Name: 5-[1-(2-aminoethyl)-5-methyl-pyrazol-3-yl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide Formula: C21H29ClN4O2 MolecularWeight: 404.93356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCN)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O

Isomeric SMILES

CC1=CC(=NN1CCN)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O

InChI

InChI=1S/C21H29ClN4O2/c1-15-12-19(25-26(15)11-10-23)16-6-7-18(22)17(13-16)20(27)24-14-21(28)8-4-2-3-5-9-21/h6-7,12-13,28H,2-5,8-11,14,23H2,1H3,(H,24,27)