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

Systemtic Name: 3-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Openeye Name: 3-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 3-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline IUPAC Name: 3-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Traditional Name: 3-[(2-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=C2Br)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CC=C2Br)C3=CC4=CC=CC=C4N=C3

InChI

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