2-phenyl-3-[4-(3-phenylpropoxymethyl)phenyl]-3-piperidin-4-yl-isoindol-1-one

Systemtic Name: 2-phenyl-3-[4-(3-phenylpropoxymethyl)phenyl]-3-piperidin-4-yl-isoindol-1-one Openeye Name: 2-phenyl-3-[4-(3-phenylpropoxymethyl)phenyl]-3-(4-piperidyl)isoindolin-1-one CAS Name: 2-phenyl-3-[4-(3-phenylpropoxymethyl)phenyl]-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 2-phenyl-3-[4-(3-phenylpropoxymethyl)phenyl]-3-piperidin-4-ylisoindol-1-one Traditional Name: 2-phenyl-3-[4-(3-phenylpropoxymethyl)phenyl]-3-(4-piperidyl)isoindolin-1-one Formula: C35H36N2O2 MolecularWeight: 516.67254

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2(C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=CC=C(C=C5)COCCCC6=CC=CC=C6

Isomeric SMILES

C1CNCCC1C2(C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=CC=C(C=C5)COCCCC6=CC=CC=C6

InChI

InChI=1S/C35H36N2O2/c38-34-32-15-7-8-16-33(32)35(30-21-23-36-24-22-30,37(34)31-13-5-2-6-14-31)29-19-17-28(18-20-29)26-39-25-9-12-27-10-3-1-4-11-27/h1-8,10-11,13-20,30,36H,9,12,21-26H2