3-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]aniline

Systemtic Name: 3-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]aniline Openeye Name: 3-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]aniline CAS Name: 3-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]aniline IUPAC Name: 3-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]aniline Traditional Name: (3-phenylphenyl)-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzyl]amine Formula: C30H41N5 MolecularWeight: 471.68004

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNC3=CC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNC3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H41N5/c1-2-7-28(8-3-1)29-9-4-10-30(23-29)34-24-26-11-13-27(14-12-26)25-35-21-6-17-32-19-18-31-15-5-16-33-20-22-35/h1-4,7-14,23,31-34H,5-6,15-22,24-25H2