2-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline hydrate

Systemtic Name: 2-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline hydrate Openeye Name: 2-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline hydrate CAS Name: 2-[3-(4-phenyl-1-piperazinyl)propoxy]quinoline hydrate IUPAC Name: 2-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline hydrate Traditional Name: 2-[3-(4-phenylpiperazino)propoxy]quinoline hydrate Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4.O

Isomeric SMILES

C1CN(CCN1CCCOC2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4.O

InChI

InChI=1S/C22H25N3O.H2O/c1-2-8-20(9-3-1)25-16-14-24(15-17-25)13-6-18-26-22-12-11-19-7-4-5-10-21(19)23-22;/h1-5,7-12H,6,13-18H2;1H2