6-[(5-bromanylthiophen-2-yl)-(1,4-diazepan-1-yl)methyl]isoquinoline

Systemtic Name: 6-[(5-bromanylthiophen-2-yl)-(1,4-diazepan-1-yl)methyl]isoquinoline Openeye Name: 6-[(5-bromo-2-thienyl)-(1,4-diazepan-1-yl)methyl]isoquinoline CAS Name: 6-[(5-bromo-2-thiophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline IUPAC Name: 6-[(5-bromothiophen-2-yl)-(1,4-diazepan-1-yl)methyl]isoquinoline Traditional Name: 6-[(5-bromo-2-thienyl)-(1,4-diazepan-1-yl)methyl]isoquinoline Formula: C19H20BrN3S MolecularWeight: 402.3512

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C19H20BrN3S/c20-18-5-4-17(24-18)19(23-10-1-7-21-9-11-23)15-2-3-16-13-22-8-6-14(16)12-15/h2-6,8,12-13,19,21H,1,7,9-11H2