N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]quinolin-8-amine

Systemtic Name: N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]quinolin-8-amine Openeye Name: N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]quinolin-8-amine CAS Name: N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-8-quinolinamine IUPAC Name: N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]quinolin-8-amine Traditional Name: 8-quinolyl-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzyl]amine Formula: C27H38N6 MolecularWeight: 446.63082

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C27H38N6/c1-5-25-6-2-15-31-27(25)26(7-1)32-21-23-8-10-24(11-9-23)22-33-19-4-14-29-17-16-28-12-3-13-30-18-20-33/h1-2,5-11,15,28-30,32H,3-4,12-14,16-22H2