7-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile

Systemtic Name: 7-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile Openeye Name: 7-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile CAS Name: 7-[3-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]phenyl]-4-(3,4,5-trimethoxyanilino)-3-quinolinecarbonitrile IUPAC Name: 7-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile Traditional Name: 7-[3-[[4-(2-hydroxyethyl)piperazino]methyl]phenyl]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile Formula: C32H35N5O4 MolecularWeight: 553.6514

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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)CN5CCN(CC5)CCO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC(=CC=C4)CN5CCN(CC5)CCO

InChI

InChI=1S/C32H35N5O4/c1-39-29-17-26(18-30(40-2)32(29)41-3)35-31-25(19-33)20-34-28-16-24(7-8-27(28)31)23-6-4-5-22(15-23)21-37-11-9-36(10-12-37)13-14-38/h4-8,15-18,20,38H,9-14,21H2,1-3H3,(H,34,35)