7-[3-(piperidin-1-ylmethyl)phenyl]-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile

Systemtic Name: 7-[3-(piperidin-1-ylmethyl)phenyl]-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile Openeye Name: 7-[3-(1-piperidylmethyl)phenyl]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile CAS Name: 7-[3-(1-piperidinylmethyl)phenyl]-4-(3,4,5-trimethoxyanilino)-3-quinolinecarbonitrile IUPAC Name: 7-[3-(piperidin-1-ylmethyl)phenyl]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile Traditional Name: 7-[3-(piperidinomethyl)phenyl]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile Formula: C31H32N4O3 MolecularWeight: 508.61078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC(=CC=C4)CN5CCCCC5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC(=CC=C4)CN5CCCCC5

InChI

InChI=1S/C31H32N4O3/c1-36-28-16-25(17-29(37-2)31(28)38-3)34-30-24(18-32)19-33-27-15-23(10-11-26(27)30)22-9-7-8-21(14-22)20-35-12-5-4-6-13-35/h7-11,14-17,19H,4-6,12-13,20H2,1-3H3,(H,33,34)