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

Systemtic Name: 4-[[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methylamino]methyl]aniline Openeye Name: 4-[[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methylamino]methyl]aniline CAS Name: 4-[[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methylamino]methyl]aniline IUPAC Name: 4-[[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methylamino]methyl]aniline Traditional Name: (4-aminobenzyl)-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzyl]amine Formula: C25H40N6 MolecularWeight: 424.6253

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=C(C=C3)N

Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=C(C=C3)N

InChI

InChI=1S/C25H40N6/c26-25-9-7-23(8-10-25)20-30-19-22-3-5-24(6-4-22)21-31-17-2-13-28-15-14-27-11-1-12-29-16-18-31/h3-10,27-30H,1-2,11-21,26H2