2-[2-[(5-azanyl-2-octadecoxy-phenoxy)methylamino]propanimidoyl]-5-tert-butyl-pyrazol-3-amine

Systemtic Name: 2-[2-[(5-azanyl-2-octadecoxy-phenoxy)methylamino]propanimidoyl]-5-tert-butyl-pyrazol-3-amine Openeye Name: 2-[2-[(5-amino-2-octadecoxy-phenoxy)methylamino]propanimidoyl]-5-tert-butyl-pyrazol-3-amine CAS Name: 2-[2-[(5-amino-2-octadecoxyphenoxy)methylamino]-1-iminopropyl]-5-tert-butyl-3-pyrazolamine IUPAC Name: 2-[2-[(5-amino-2-octadecoxyphenoxy)methylamino]propanimidoyl]-5-tert-butylpyrazol-3-amine Traditional Name: [2-(5-amino-3-tert-butyl-pyrazol-1-yl)-2-imino-1-methyl-ethyl]-[(5-amino-2-stearyloxy-phenoxy)methyl]amine Formula: C35H62N6O2 MolecularWeight: 598.90578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)N)OCNC(C)C(=N)N2C(=CC(=N2)C(C)(C)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)N)OCNC(C)C(=N)N2C(=CC(=N2)C(C)(C)C)N

InChI

InChI=1S/C35H62N6O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-42-30-23-22-29(36)25-31(30)43-27-39-28(2)34(38)41-33(37)26-32(40-41)35(3,4)5/h22-23,25-26,28,38-39H,6-21,24,27,36-37H2,1-5H3