N-[[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine

Systemtic Name: N-[[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine Openeye Name: N-[[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-5-(2-thienyl)-1H-pyrazol-3-amine CAS Name: N-[[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine IUPAC Name: N-[[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine Traditional Name: [3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzyl]-[5-(2-thienyl)-1H-pyrazol-3-yl]amine Formula: C25H37N7S MolecularWeight: 467.67318

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC(=CC=C2)CNC3=NNC(=C3)C4=CC=CS4

Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC(=CC=C2)CNC3=NNC(=C3)C4=CC=CS4

InChI

InChI=1S/C25H37N7S/c1-5-21(19-29-25-18-23(30-31-25)24-7-2-16-33-24)17-22(6-1)20-32-14-4-10-27-12-11-26-8-3-9-28-13-15-32/h1-2,5-7,16-18,26-28H,3-4,8-15,19-20H2,(H2,29,30,31)