N-methyl-N-[2-(3-phenyl-4-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]hectan-1-amine

Systemtic Name: N-methyl-N-[2-(3-phenyl-4-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]hectan-1-amine Openeye Name: N-methyl-N-[2-[3-phenyl-4-(4-pyridyl)-1H-pyrazol-5-yl]ethyl]hectan-1-amine CAS Name: N-methyl-N-[2-(3-phenyl-4-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]-1-hectanamine IUPAC Name: N-methyl-N-[2-(3-phenyl-4-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]hectan-1-amine Traditional Name: hectyl-methyl-[2-[3-phenyl-4-(4-pyridyl)-1H-pyrazol-5-yl]ethyl]amine Formula: C117H218N4 MolecularWeight: 1681.00962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN(C)CCC1=C(C(=NN1)C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN(C)CCC1=C(C(=NN1)C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C117H218N4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-64-65-66-67-68-69-70-71-72-73-74-75-76-77-78-79-80-81-82-83-84-85-86-87-88-89-90-91-92-93-94-95-96-97-98-99-103-111-121(2)112-108-115-116(113-106-109-118-110-107-113)117(120-119-115)114-104-101-100-102-105-114/h100-102,104-107,109-110H,3-99,103,108,111-112H2,1-2H3,(H,119,120)