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6-[1,4-diazepan-1-yl-(3,4,5-trimethoxyphenyl)methyl]isoquinoline

6-[1,4-diazepan-1-yl-(3,4,5-trimethoxyphenyl)methyl]isoquinoline

Systemtic Name:6-[1,4-diazepan-1-yl-(3,4,5-trimethoxyphenyl)methyl]isoquinoline
Openeye Name:6-[1,4-diazepan-1-yl-(3,4,5-trimethoxyphenyl)methyl]isoquinoline
CAS Name:6-[1,4-diazepan-1-yl-(3,4,5-trimethoxyphenyl)methyl]isoquinoline
IUPAC Name:6-[1,4-diazepan-1-yl-(3,4,5-trimethoxyphenyl)methyl]isoquinoline
Traditional Name:6-[1,4-diazepan-1-yl-(3,4,5-trimethoxyphenyl)methyl]isoquinoline
Formula: C24H29N3O3
MolecularWeight: 407.50536
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4


Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4


InChI

InChI=1S/C24H29N3O3/c1-28-21-14-20(15-22(29-2)24(21)30-3)23(27-11-4-8-25-10-12-27)18-5-6-19-16-26-9-7-17(19)13-18/h5-7,9,13-16,23,25H,4,8,10-12H2,1-3H3


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