6-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline

Systemtic Name: 6-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline Openeye Name: 6-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline CAS Name: 6-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline IUPAC Name: 6-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline Traditional Name: 6-[(3-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(=CC=C2)Br)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

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

InChI

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