6-[1-benzothiophen-3-yl(1,4-diazepan-1-yl)methyl]isoquinoline

Systemtic Name: 6-[1-benzothiophen-3-yl(1,4-diazepan-1-yl)methyl]isoquinoline Openeye Name: 6-[benzothiophen-3-yl(1,4-diazepan-1-yl)methyl]isoquinoline CAS Name: 6-[1-benzothiophen-3-yl(1,4-diazepan-1-yl)methyl]isoquinoline IUPAC Name: 6-[1-benzothiophen-3-yl(1,4-diazepan-1-yl)methyl]isoquinoline Traditional Name: 6-[benzothiophen-3-yl(1,4-diazepan-1-yl)methyl]isoquinoline Formula: C23H23N3S MolecularWeight: 373.51382

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C23H23N3S/c1-2-5-22-20(4-1)21(16-27-22)23(26-12-3-9-24-11-13-26)18-6-7-19-15-25-10-8-17(19)14-18/h1-2,4-8,10,14-16,23-24H,3,9,11-13H2