1-[[4-(1,4-diazepan-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1-[[4-(1,4-diazepan-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1-[[4-(1,4-diazepan-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane CAS Name: 1-[[4-(1,4-diazepan-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1-[[4-(1,4-diazepan-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1-[4-(1,4-diazepan-1-ylmethyl)benzyl]-1,4,8,11-tetrazacyclotetradecane Formula: C23H42N6 MolecularWeight: 402.61978

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCC3

Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCC3

InChI

InChI=1S/C23H42N6/c1-8-24-12-13-25-10-2-16-28(18-14-26-9-1)20-22-4-6-23(7-5-22)21-29-17-3-11-27-15-19-29/h4-7,24-27H,1-3,8-21H2