3-[4-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperazin-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[4-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperazin-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[3-(4-phenylisochroman-4-yl)propyl]piperazin-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[3-(4-phenyl-3,4-dihydro-1H-2-benzopyran-4-yl)propyl]-1-piperazinyl]-1,2-benzothiazole IUPAC Name: 3-[4-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperazin-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[3-(4-phenylisochroman-4-yl)propyl]piperazino]-1,2-benzothiazole Formula: C29H31N3OS MolecularWeight: 469.64094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2(COCC3=CC=CC=C32)C4=CC=CC=C4)C5=NSC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1CCCC2(COCC3=CC=CC=C32)C4=CC=CC=C4)C5=NSC6=CC=CC=C65

InChI

InChI=1S/C29H31N3OS/c1-2-10-24(11-3-1)29(22-33-21-23-9-4-6-13-26(23)29)15-8-16-31-17-19-32(20-18-31)28-25-12-5-7-14-27(25)34-30-28/h1-7,9-14H,8,15-22H2