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

Systemtic Name: 2-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Openeye Name: 2-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 2-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline IUPAC Name: 2-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Traditional Name: 2-[(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=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4C=C3

InChI

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