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

Systemtic Name: 4-[4-(1-imidazol-1-yl-4-naphthalen-2-yl-butan-2-yl)sulfanylphenyl]piperazine-1-carbaldehyde Openeye Name: 4-[4-[1-(imidazol-1-ylmethyl)-3-(2-naphthyl)propyl]sulfanylphenyl]piperazine-1-carbaldehyde CAS Name: 4-[4-[[1-(1-imidazolyl)-4-(2-naphthalenyl)butan-2-yl]thio]phenyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(1-imidazol-1-yl-4-naphthalen-2-ylbutan-2-yl)sulfanylphenyl]piperazine-1-carbaldehyde Traditional Name: 4-[4-[[1-(imidazol-1-ylmethyl)-3-(2-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=CC4=CC=CC=C4C=C3)CN5C=CN=C5

Isomeric SMILES

C1CN(CCN1C=O)C2=CC=C(C=C2)SC(CCC3=CC4=CC=CC=C4C=C3)CN5C=CN=C5

InChI

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