4-[1,4-diazepan-1-yl(isoquinolin-6-yl)methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[1,4-diazepan-1-yl(isoquinolin-6-yl)methyl]-N,N-dimethyl-aniline Openeye Name: 4-[1,4-diazepan-1-yl(6-isoquinolyl)methyl]-N,N-dimethyl-aniline CAS Name: 4-[1,4-diazepan-1-yl(6-isoquinolinyl)methyl]-N,N-dimethylaniline IUPAC Name: 4-[1,4-diazepan-1-yl(isoquinolin-6-yl)methyl]-N,N-dimethylaniline Traditional Name: [4-[1,4-diazepan-1-yl(6-isoquinolyl)methyl]phenyl]-dimethyl-amine Formula: C23H28N4 MolecularWeight: 360.49522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4

InChI

InChI=1S/C23H28N4/c1-26(2)22-8-6-18(7-9-22)23(27-14-3-11-24-13-15-27)20-4-5-21-17-25-12-10-19(21)16-20/h4-10,12,16-17,23-24H,3,11,13-15H2,1-2H3