3-[(5-bromanylthiophen-2-yl)-(1,4-diazepan-1-yl)methyl]quinoline

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)-(1,4-diazepan-1-yl)methyl]quinoline Openeye Name: 3-[(5-bromo-2-thienyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 3-[(5-bromo-2-thiophenyl)-(1,4-diazepan-1-yl)methyl]quinoline IUPAC Name: 3-[(5-bromothiophen-2-yl)-(1,4-diazepan-1-yl)methyl]quinoline Traditional Name: 3-[(5-bromo-2-thienyl)-(1,4-diazepan-1-yl)methyl]quinoline Formula: C19H20BrN3S MolecularWeight: 402.3512

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(S2)Br)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(S2)Br)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C19H20BrN3S/c20-18-7-6-17(24-18)19(23-10-3-8-21-9-11-23)15-12-14-4-1-2-5-16(14)22-13-15/h1-2,4-7,12-13,19,21H,3,8-11H2