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

Systemtic Name: 5-[1-(2-azanylethyl)pyrazol-3-yl]-2-chloranyl-N-[(1-oxidanylcycloheptyl)methyl]benzamide Openeye Name: 5-[1-(2-aminoethyl)pyrazol-3-yl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide CAS Name: 5-[1-(2-aminoethyl)-3-pyrazolyl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide IUPAC Name: 5-[1-(2-aminoethyl)pyrazol-3-yl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide Traditional Name: 5-[1-(2-aminoethyl)pyrazol-3-yl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide Formula: C20H27ClN4O2 MolecularWeight: 390.90698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=NN(C=C3)CCN)Cl)O

Isomeric SMILES

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=NN(C=C3)CCN)Cl)O

InChI

InChI=1S/C20H27ClN4O2/c21-17-6-5-15(18-7-11-25(24-18)12-10-22)13-16(17)19(26)23-14-20(27)8-3-1-2-4-9-20/h5-7,11,13,27H,1-4,8-10,12,14,22H2,(H,23,26)