9-butyl-2-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-3H-pyrrolo[3,4-b]quinolin-1-one

Systemtic Name: 9-butyl-2-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-3H-pyrrolo[3,4-b]quinolin-1-one Openeye Name: 2-[2-(1-benzyl-4-piperidyl)ethyl]-9-butyl-3H-pyrrolo[3,4-b]quinolin-1-one CAS Name: 9-butyl-2-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-3H-pyrrolo[3,4-b]quinolin-1-one IUPAC Name: 2-[2-(1-benzylpiperidin-4-yl)ethyl]-9-butyl-3H-pyrrolo[3,4-b]quinolin-1-one Traditional Name: 2-[2-(1-benzyl-4-piperidyl)ethyl]-9-butyl-3H-pyrrolo[3,4-b]quinolin-1-one Formula: C29H35N3O MolecularWeight: 441.6077

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=NC3=CC=CC=C31)CN(C2=O)CCC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCC1=C2C(=NC3=CC=CC=C31)CN(C2=O)CCC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H35N3O/c1-2-3-11-25-24-12-7-8-13-26(24)30-27-21-32(29(33)28(25)27)19-16-22-14-17-31(18-15-22)20-23-9-5-4-6-10-23/h4-10,12-13,22H,2-3,11,14-21H2,1H3