6-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline

Systemtic Name: 6-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline Openeye Name: 6-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline CAS Name: 6-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline IUPAC Name: 6-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline Traditional Name: 6-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline 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=C(C=C3)C=NC=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C21H22BrN3/c22-20-6-4-16(5-7-20)21(25-12-1-9-23-11-13-25)18-2-3-19-15-24-10-8-17(19)14-18/h2-8,10,14-15,21,23H,1,9,11-13H2