6-methoxy-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carbaldehyde

Systemtic Name: 6-methoxy-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carbaldehyde Openeye Name: 2-(4-benzylpiperazin-1-yl)-6-methoxy-quinoline-3-carbaldehyde CAS Name: 6-methoxy-2-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxaldehyde IUPAC Name: 2-(4-benzylpiperazin-1-yl)-6-methoxyquinoline-3-carbaldehyde Traditional Name: 2-(4-benzylpiperazino)-6-methoxy-quinoline-3-carbaldehyde Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(N=C2C=C1)N3CCN(CC3)CC4=CC=CC=C4)C=O

Isomeric SMILES

COC1=CC2=CC(=C(N=C2C=C1)N3CCN(CC3)CC4=CC=CC=C4)C=O

InChI

InChI=1S/C22H23N3O2/c1-27-20-7-8-21-18(14-20)13-19(16-26)22(23-21)25-11-9-24(10-12-25)15-17-5-3-2-4-6-17/h2-8,13-14,16H,9-12,15H2,1H3