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

Systemtic Name: 2-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Openeye Name: 2-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 2-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline IUPAC Name: 2-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Traditional Name: 2-[(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=NC3=CC=CC=C3C=C2)C4=CC=CC=C4Br

Isomeric SMILES

C1CNCCN(C1)C(C2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4Br

InChI

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