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

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

Isomeric SMILES

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

InChI

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