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N-(phenylmethyl)-N'-(pyren-1-ylmethyl)heptane-1,7-diamine

N-(phenylmethyl)-N'-(pyren-1-ylmethyl)heptane-1,7-diamine

Systemtic Name:N-(phenylmethyl)-N'-(pyren-1-ylmethyl)heptane-1,7-diamine
Openeye Name:N-benzyl-N'-(pyren-1-ylmethyl)heptane-1,7-diamine
CAS Name:N-(phenylmethyl)-N'-(1-pyrenylmethyl)heptane-1,7-diamine
IUPAC Name:N-benzyl-N'-(pyren-1-ylmethyl)heptane-1,7-diamine
Traditional Name:benzyl-[7-(pyren-1-ylmethylamino)heptyl]amine
Formula: C31H34N2
MolecularWeight: 434.61506
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCCCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2


Isomeric SMILES

C1=CC=C(C=C1)CNCCCCCCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2


InChI

InChI=1S/C31H34N2/c1(2-7-20-32-22-24-10-5-4-6-11-24)3-8-21-33-23-28-17-16-27-15-14-25-12-9-13-26-18-19-29(28)31(27)30(25)26/h4-6,9-19,32-33H,1-3,7-8,20-23H2


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