4-[(2-bromanyl-5-methoxy-phenyl)methyl]-3-piperidin-1-yl-2-propyl-3H-isoindol-1-one

Systemtic Name: 4-[(2-bromanyl-5-methoxy-phenyl)methyl]-3-piperidin-1-yl-2-propyl-3H-isoindol-1-one Openeye Name: 4-[(2-bromo-5-methoxy-phenyl)methyl]-3-(1-piperidyl)-2-propyl-isoindolin-1-one CAS Name: 4-[(2-bromo-5-methoxyphenyl)methyl]-3-(1-piperidinyl)-2-propyl-3H-isoindol-1-one IUPAC Name: 4-[(2-bromo-5-methoxyphenyl)methyl]-3-piperidin-1-yl-2-propyl-3H-isoindol-1-one Traditional Name: 4-(2-bromo-5-methoxy-benzyl)-3-piperidino-2-propyl-isoindolin-1-one Formula: C24H29BrN2O2 MolecularWeight: 457.40326

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=C(C1=O)C=CC=C2CC3=C(C=CC(=C3)OC)Br)N4CCCCC4

Isomeric SMILES

CCCN1C(C2=C(C1=O)C=CC=C2CC3=C(C=CC(=C3)OC)Br)N4CCCCC4

InChI

InChI=1S/C24H29BrN2O2/c1-3-12-27-23(26-13-5-4-6-14-26)22-17(8-7-9-20(22)24(27)28)15-18-16-19(29-2)10-11-21(18)25/h7-11,16,23H,3-6,12-15H2,1-2H3