N-[3-(4-methylpiperazin-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide

Systemtic Name: N-[3-(4-methylpiperazin-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide Openeye Name: N-[3-(4-methylpiperazin-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide CAS Name: N-[3-(4-methyl-1-piperazinyl)propyl]-N-[(2-phenyl-3-pyrazolyl)methyl]cycloheptanecarboxamide IUPAC Name: N-[3-(4-methylpiperazin-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide Traditional Name: N-[3-(4-methylpiperazino)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide Formula: C26H39N5O MolecularWeight: 437.62076

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN(CC2=CC=NN2C3=CC=CC=C3)C(=O)C4CCCCCC4

Isomeric SMILES

CN1CCN(CC1)CCCN(CC2=CC=NN2C3=CC=CC=C3)C(=O)C4CCCCCC4

InChI

InChI=1S/C26H39N5O/c1-28-18-20-29(21-19-28)16-9-17-30(26(32)23-10-5-2-3-6-11-23)22-25-14-15-27-31(25)24-12-7-4-8-13-24/h4,7-8,12-15,23H,2-3,5-6,9-11,16-22H2,1H3