3-(3,3-diphenylpropyl)-2-piperidin-4-yl-isoquinolin-1-one

Systemtic Name: 3-(3,3-diphenylpropyl)-2-piperidin-4-yl-isoquinolin-1-one Openeye Name: 3-(3,3-diphenylpropyl)-2-(4-piperidyl)isoquinolin-1-one CAS Name: 3-(3,3-diphenylpropyl)-2-(4-piperidinyl)-1-isoquinolinone IUPAC Name: 3-(3,3-diphenylpropyl)-2-piperidin-4-ylisoquinolin-1-one Traditional Name: 3-(3,3-diphenylpropyl)-2-(4-piperidyl)isocarbostyril Formula: C29H30N2O MolecularWeight: 422.5613

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C(=CC3=CC=CC=C3C2=O)CCC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CNCCC1N2C(=CC3=CC=CC=C3C2=O)CCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N2O/c32-29-28-14-8-7-13-24(28)21-26(31(29)25-17-19-30-20-18-25)15-16-27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,21,25,27,30H,15-20H2