1,3-bis(oxidanylidene)-2-phenylmethoxy-6-piperidin-1-yl-benzo[de]isoquinoline-5-carbonitrile

Systemtic Name: 1,3-bis(oxidanylidene)-2-phenylmethoxy-6-piperidin-1-yl-benzo[de]isoquinoline-5-carbonitrile Openeye Name: 2-benzyloxy-1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinoline-5-carbonitrile CAS Name: 1,3-dioxo-2-phenylmethoxy-6-(1-piperidinyl)-5-benzo[de]isoquinolinecarbonitrile IUPAC Name: 1,3-dioxo-2-phenylmethoxy-6-piperidin-1-ylbenzo[de]isoquinoline-5-carbonitrile Traditional Name: 2-benzoxy-1,3-diketo-6-piperidino-benzo[de]isoquinoline-5-carbonitrile Formula: C25H21N3O3 MolecularWeight: 411.45254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2C#N)C(=O)N(C4=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2C#N)C(=O)N(C4=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3/c26-15-18-14-21-22-19(23(18)27-12-5-2-6-13-27)10-7-11-20(22)24(29)28(25(21)30)31-16-17-8-3-1-4-9-17/h1,3-4,7-11,14H,2,5-6,12-13,16H2