3-[4-(diphenylmethyl)piperazin-1-yl]-5-(2-oxidanylpropoxy)quinoline-2-carbonitrile

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]-5-(2-oxidanylpropoxy)quinoline-2-carbonitrile Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)-5-(2-hydroxypropoxy)quinoline-2-carbonitrile CAS Name: 3-[4-(diphenylmethyl)-1-piperazinyl]-5-(2-hydroxypropoxy)-2-quinolinecarbonitrile IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)-5-(2-hydroxypropoxy)quinoline-2-carbonitrile Traditional Name: 3-(4-benzhydrylpiperazino)-5-(2-hydroxypropoxy)quinaldonitrile Formula: C30H30N4O2 MolecularWeight: 478.5848

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC2=NC(=C(C=C21)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N)O

Isomeric SMILES

CC(COC1=CC=CC2=NC(=C(C=C21)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N)O

InChI

InChI=1S/C30H30N4O2/c1-22(35)21-36-29-14-8-13-26-25(29)19-28(27(20-31)32-26)33-15-17-34(18-16-33)30(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,19,22,30,35H,15-18,21H2,1H3