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3-[1,4-diazepan-1-yl-(4-phenylmethoxyphenyl)methyl]quinoline

3-[1,4-diazepan-1-yl-(4-phenylmethoxyphenyl)methyl]quinoline

Systemtic Name:3-[1,4-diazepan-1-yl-(4-phenylmethoxyphenyl)methyl]quinoline
Openeye Name:3-[(4-benzyloxyphenyl)-(1,4-diazepan-1-yl)methyl]quinoline
CAS Name:3-[1,4-diazepan-1-yl-(4-phenylmethoxyphenyl)methyl]quinoline
IUPAC Name:3-[1,4-diazepan-1-yl-(4-phenylmethoxyphenyl)methyl]quinoline
Traditional Name:3-[(4-benzoxyphenyl)-(1,4-diazepan-1-yl)methyl]quinoline
Formula: C28H29N3O
MolecularWeight: 423.54936
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4


Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4


InChI

InChI=1S/C28H29N3O/c1-2-7-22(8-3-1)21-32-26-13-11-23(12-14-26)28(31-17-6-15-29-16-18-31)25-19-24-9-4-5-10-27(24)30-20-25/h1-5,7-14,19-20,28-29H,6,15-18,21H2


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