2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrol-1-yl]-6-methyl-1,3-benzothiazole

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrol-1-yl]-6-methyl-1,3-benzothiazole Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrol-1-yl]-6-methyl-1,3-benzothiazole CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-pyrrolyl]-6-methyl-1,3-benzothiazole IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrol-1-yl]-6-methyl-1,3-benzothiazole Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrol-1-yl]-6-methyl-1,3-benzothiazole Formula: C22H21N3S MolecularWeight: 359.48724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C22H21N3S/c1-16-8-9-20-21(13-16)26-22(23-20)25-11-4-7-19(25)15-24-12-10-17-5-2-3-6-18(17)14-24/h2-9,11,13H,10,12,14-15H2,1H3