5-[[1-oxidanylidene-2-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-3H-pyrrolo[3,4-b]quinolin-9-yl]oxy]pentanenitrile

Systemtic Name: 5-[[1-oxidanylidene-2-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-3H-pyrrolo[3,4-b]quinolin-9-yl]oxy]pentanenitrile Openeye Name: 5-[[2-[2-(1-benzyl-4-piperidyl)ethyl]-1-oxo-3H-pyrrolo[3,4-b]quinolin-9-yl]oxy]pentanenitrile CAS Name: 5-[[1-oxo-2-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-3H-pyrrolo[3,4-b]quinolin-9-yl]oxy]pentanenitrile IUPAC Name: 5-[[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-oxo-3H-pyrrolo[3,4-b]quinolin-9-yl]oxy]pentanenitrile Traditional Name: 5-[[2-[2-(1-benzyl-4-piperidyl)ethyl]-1-keto-3H-pyrrolo[3,4-b]quinolin-9-yl]oxy]valeronitrile Formula: C30H34N4O2 MolecularWeight: 482.61656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCN2CC3=NC4=CC=CC=C4C(=C3C2=O)OCCCCC#N)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CCN2CC3=NC4=CC=CC=C4C(=C3C2=O)OCCCCC#N)CC5=CC=CC=C5

InChI

InChI=1S/C30H34N4O2/c31-16-7-2-8-20-36-29-25-11-5-6-12-26(25)32-27-22-34(30(35)28(27)29)19-15-23-13-17-33(18-14-23)21-24-9-3-1-4-10-24/h1,3-6,9-12,23H,2,7-8,13-15,17-22H2