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

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

Systemtic Name:6-[1,4-diazepan-1-yl-(2,4-dichlorophenyl)methyl]isoquinoline
Openeye Name:6-[1,4-diazepan-1-yl-(2,4-dichlorophenyl)methyl]isoquinoline
CAS Name:6-[1,4-diazepan-1-yl-(2,4-dichlorophenyl)methyl]isoquinoline
IUPAC Name:6-[1,4-diazepan-1-yl-(2,4-dichlorophenyl)methyl]isoquinoline
Traditional Name:6-[1,4-diazepan-1-yl-(2,4-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=C(C=C(C=C4)Cl)Cl


Isomeric SMILES

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


InChI

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


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