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

Systemtic Name: 4-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Openeye Name: 4-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 4-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline IUPAC Name: 4-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Traditional Name: 4-[(3-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=C2)Br)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

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

InChI

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