2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]piperidine-1-carbaldehyde

Systemtic Name: 2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]piperidine-1-carbaldehyde Openeye Name: 2-[4-(4-phenethylpiperazin-1-yl)benzothiophen-2-yl]piperidine-1-carbaldehyde CAS Name: 2-[4-(4-phenethyl-1-piperazinyl)-1-benzothiophen-2-yl]-1-piperidinecarboxaldehyde IUPAC Name: 2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]piperidine-1-carbaldehyde Traditional Name: 2-[4-(4-phenethylpiperazino)benzothiophen-2-yl]piperidine-1-carbaldehyde Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CC3=C(C=CC=C3S2)N4CCN(CC4)CCC5=CC=CC=C5)C=O

Isomeric SMILES

C1CCN(C(C1)C2=CC3=C(C=CC=C3S2)N4CCN(CC4)CCC5=CC=CC=C5)C=O

InChI

InChI=1S/C26H31N3OS/c30-20-29-13-5-4-9-24(29)26-19-22-23(10-6-11-25(22)31-26)28-17-15-27(16-18-28)14-12-21-7-2-1-3-8-21/h1-3,6-8,10-11,19-20,24H,4-5,9,12-18H2