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2,4-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)quinoline

2,4-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)quinoline

Systemtic Name:2,4-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)quinoline
Openeye Name:2,4-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)quinoline
CAS Name:2,4-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)quinoline
IUPAC Name:2,4-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)quinoline
Traditional Name:2,4-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)quinoline
Formula: C31H55N9
MolecularWeight: 553.8287
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC(=NC3=CC=CC=C32)CN4CCCNCCNCCCNCC4


Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC(=NC3=CC=CC=C32)CN4CCCNCCNCCCNCC4


InChI

InChI=1S/C31H55N9/c1-2-8-31-30(7-1)28(26-39-21-5-13-34-17-15-32-9-3-11-36-19-23-39)25-29(38-31)27-40-22-6-14-35-18-16-33-10-4-12-37-20-24-40/h1-2,7-8,25,32-37H,3-6,9-24,26-27H2


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