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

Systemtic Name: 6-[1,4-diazepan-1-yl-(3,4-dichlorophenyl)methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl-(3,4-dichlorophenyl)methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl-(3,4-dichlorophenyl)methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl-(3,4-dichlorophenyl)methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl-(3,4-dichlorophenyl)methyl]isoquinoline Formula: C21H21Cl2N3 MolecularWeight: 386.31754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3/c22-19-5-4-17(13-20(19)23)21(26-10-1-7-24-9-11-26)16-2-3-18-14-25-8-6-15(18)12-16/h2-6,8,12-14,21,24H,1,7,9-11H2