6-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline

Systemtic Name: 6-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline Openeye Name: 6-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline CAS Name: 6-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline IUPAC Name: 6-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline Traditional Name: 6-[(2-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=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4Br

InChI

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