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

Systemtic Name: 2-piperidin-1-yl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]aniline Openeye Name: 2-(1-piperidyl)-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]aniline CAS Name: 2-(1-piperidinyl)-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]aniline IUPAC Name: 2-piperidin-1-yl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]aniline Traditional Name: (2-piperidinophenyl)-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzyl]amine Formula: C29H46N6 MolecularWeight: 478.71574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2NCC3=CC=C(C=C3)CN4CCCNCCNCCCNCC4

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2NCC3=CC=C(C=C3)CN4CCCNCCNCCCNCC4

InChI

InChI=1S/C29H46N6/c1-4-21-35(22-5-1)29-9-3-2-8-28(29)33-24-26-10-12-27(13-11-26)25-34-20-7-16-31-18-17-30-14-6-15-32-19-23-34/h2-3,8-13,30-33H,1,4-7,14-25H2