3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[4-(3-oxidanylidene-1H-2-benzofuran-5-yl)phenyl]piperidin-2-one

Systemtic Name: 3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[4-(3-oxidanylidene-1H-2-benzofuran-5-yl)phenyl]piperidin-2-one Openeye Name: 3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[4-(3-oxo-1H-isobenzofuran-5-yl)phenyl]piperidin-2-one CAS Name: 3-[[2-(4-methyl-1-piperazinyl)phenyl]methyl]-1-[4-(3-oxo-1H-isobenzofuran-5-yl)phenyl]-2-piperidinone IUPAC Name: 3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[4-(3-oxo-1H-2-benzofuran-5-yl)phenyl]piperidin-2-one Traditional Name: 1-[4-(3-ketophthalan-5-yl)phenyl]-3-[2-(4-methylpiperazino)benzyl]-2-piperidone Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2CC3CCCN(C3=O)C4=CC=C(C=C4)C5=CC6=C(COC6=O)C=C5

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2CC3CCCN(C3=O)C4=CC=C(C=C4)C5=CC6=C(COC6=O)C=C5

InChI

InChI=1S/C31H33N3O3/c1-32-15-17-33(18-16-32)29-7-3-2-5-24(29)19-25-6-4-14-34(30(25)35)27-12-10-22(11-13-27)23-8-9-26-21-37-31(36)28(26)20-23/h2-3,5,7-13,20,25H,4,6,14-19,21H2,1H3