N-(cyanomethyl)-3-cyclobutyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide

Systemtic Name: N-(cyanomethyl)-3-cyclobutyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide Openeye Name: N-(cyanomethyl)-3-cyclobutyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide CAS Name: N-(cyanomethyl)-3-cyclobutyl-2-[3-[4-(4-methyl-1-piperazinyl)phenyl]phenyl]propanamide IUPAC Name: N-(cyanomethyl)-3-cyclobutyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide Traditional Name: N-(cyanomethyl)-3-cyclobutyl-2-[3-[4-(4-methylpiperazino)phenyl]phenyl]propionamide Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)C3=CC(=CC=C3)C(CC4CCC4)C(=O)NCC#N

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C3=CC(=CC=C3)C(CC4CCC4)C(=O)NCC#N

InChI

InChI=1S/C26H32N4O/c1-29-14-16-30(17-15-29)24-10-8-21(9-11-24)22-6-3-7-23(19-22)25(18-20-4-2-5-20)26(31)28-13-12-27/h3,6-11,19-20,25H,2,4-5,13-18H2,1H3,(H,28,31)