3-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline

Systemtic Name: 3-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Openeye Name: 3-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 3-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline IUPAC Name: 3-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Traditional Name: 3-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Formula: C21H22BrN3 MolecularWeight: 396.32348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3/c22-19-7-3-6-17(14-19)21(25-11-4-9-23-10-12-25)18-13-16-5-1-2-8-20(16)24-15-18/h1-3,5-8,13-15,21,23H,4,9-12H2