1-[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]phthalazine

Systemtic Name: 1-[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]phthalazine Openeye Name: 1-[4-(benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]phthalazine CAS Name: 1-[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]phthalazine IUPAC Name: 1-[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]phthalazine Traditional Name: 1-[4-(benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]phthalazine Formula: C26H21N3S MolecularWeight: 407.53004

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C=C(C=C2)C3=NN=CC4=CC=CC=C43)C5=CC6=CC=CC=C6S5

Isomeric SMILES

CN1CC(C2=C(C1)C=C(C=C2)C3=NN=CC4=CC=CC=C43)C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C26H21N3S/c1-29-15-20-12-18(26-22-8-4-2-7-19(22)14-27-28-26)10-11-21(20)23(16-29)25-13-17-6-3-5-9-24(17)30-25/h2-14,23H,15-16H2,1H3