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

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

Systemtic Name:6-[1,4-diazepan-1-yl-(4-phenylphenyl)methyl]isoquinoline
Openeye Name:6-[1,4-diazepan-1-yl-(4-phenylphenyl)methyl]isoquinoline
CAS Name:6-[1,4-diazepan-1-yl-(4-phenylphenyl)methyl]isoquinoline
IUPAC Name:6-[1,4-diazepan-1-yl-(4-phenylphenyl)methyl]isoquinoline
Traditional Name:6-[1,4-diazepan-1-yl-(4-phenylphenyl)methyl]isoquinoline
Formula: C27H27N3
MolecularWeight: 393.52338
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C=NC=C5


Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C=NC=C5


InChI

InChI=1S/C27H27N3/c1-2-5-21(6-3-1)22-7-9-23(10-8-22)27(30-17-4-14-28-16-18-30)25-11-12-26-20-29-15-13-24(26)19-25/h1-3,5-13,15,19-20,27-28H,4,14,16-18H2


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