4-[4-(1-imidazol-1-yl-4-naphthalen-1-yl-butan-2-yl)sulfanylphenyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[4-(1-imidazol-1-yl-4-naphthalen-1-yl-butan-2-yl)sulfanylphenyl]piperazine-1-carbaldehyde Openeye Name: 4-[4-[1-(imidazol-1-ylmethyl)-3-(1-naphthyl)propyl]sulfanylphenyl]piperazine-1-carbaldehyde CAS Name: 4-[4-[[1-(1-imidazolyl)-4-(1-naphthalenyl)butan-2-yl]thio]phenyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(1-imidazol-1-yl-4-naphthalen-1-ylbutan-2-yl)sulfanylphenyl]piperazine-1-carbaldehyde Traditional Name: 4-[4-[[1-(imidazol-1-ylmethyl)-3-(1-naphthyl)propyl]thio]phenyl]piperazine-1-carbaldehyde Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=CC=C(C=C2)SC(CCC3=CC=CC4=CC=CC=C43)CN5C=CN=C5

Isomeric SMILES

C1CN(CCN1C=O)C2=CC=C(C=C2)SC(CCC3=CC=CC4=CC=CC=C43)CN5C=CN=C5

InChI

InChI=1S/C28H30N4OS/c33-22-30-16-18-32(19-17-30)25-9-12-26(13-10-25)34-27(20-31-15-14-29-21-31)11-8-24-6-3-5-23-4-1-2-7-28(23)24/h1-7,9-10,12-15,21-22,27H,8,11,16-20H2