2-methoxy-4-[2-nitro-6-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]phenyl]benzenecarbonitrile

Systemtic Name: 2-methoxy-4-[2-nitro-6-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]phenyl]benzenecarbonitrile Openeye Name: 2-methoxy-4-[2-nitro-6-[4-(2-quinolylmethoxy)-1-piperidyl]phenyl]benzonitrile CAS Name: 2-methoxy-4-[2-nitro-6-[4-(2-quinolinylmethoxy)-1-piperidinyl]phenyl]benzonitrile IUPAC Name: 2-methoxy-4-[2-nitro-6-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]phenyl]benzonitrile Traditional Name: 2-methoxy-4-[2-nitro-6-[4-(2-quinolylmethoxy)piperidino]phenyl]benzonitrile Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C=CC=C2[N+](=O)[O-])N3CCC(CC3)OCC4=NC5=CC=CC=C5C=C4)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C=CC=C2[N+](=O)[O-])N3CCC(CC3)OCC4=NC5=CC=CC=C5C=C4)C#N

InChI

InChI=1S/C29H26N4O4/c1-36-28-17-21(9-10-22(28)18-30)29-26(7-4-8-27(29)33(34)35)32-15-13-24(14-16-32)37-19-23-12-11-20-5-2-3-6-25(20)31-23/h2-12,17,24H,13-16,19H2,1H3