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

Systemtic Name: 4-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Openeye Name: 4-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 4-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline IUPAC Name: 4-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Traditional Name: 4-[(4-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=C(C=C2)Br)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)Br)C3=CC=NC4=CC=CC=C34

InChI

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