4-[4-(4-phenylpiperazin-1-yl)carbonylpiperidin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(4-phenylpiperazin-1-yl)carbonylpiperidin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(4-phenylpiperazine-1-carbonyl)-1-piperidyl]-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-piperidinyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(4-phenylpiperazine-1-carbonyl)piperidino]-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C30H31N5O3 MolecularWeight: 509.59884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CN=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CN=CC=C6

InChI

InChI=1S/C30H31N5O3/c36-28(34-18-16-32(17-19-34)24-7-2-1-3-8-24)23-11-14-33(15-12-23)26-10-4-9-25-27(26)30(38)35(29(25)37)21-22-6-5-13-31-20-22/h1-10,13,20,23H,11-12,14-19,21H2