5-(3-chlorophenyl)-3-[4-[ethyl(hexyl)amino]-2-methyl-phenyl]imino-2-[2-(3-methoxybutoxy)phenyl]-6-methyl-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(3-chlorophenyl)-3-[4-[ethyl(hexyl)amino]-2-methyl-phenyl]imino-2-[2-(3-methoxybutoxy)phenyl]-6-methyl-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(3-chlorophenyl)-3-[4-[ethyl(hexyl)amino]-2-methyl-phenyl]imino-2-[2-(3-methoxybutoxy)phenyl]-6-methyl-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-(3-chlorophenyl)-3-[4-[ethyl(hexyl)amino]-2-methylphenyl]imino-2-[2-(3-methoxybutoxy)phenyl]-6-methyl-7-pyrazolo[1,5-a]pyrimidinone IUPAC Name: 5-(3-chlorophenyl)-3-[4-[ethyl(hexyl)amino]-2-methylphenyl]imino-2-[2-(3-methoxybutoxy)phenyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-(3-chlorophenyl)-3-[4-[ethyl(hexyl)amino]-2-methyl-phenyl]imino-2-[2-(3-methoxybutoxy)phenyl]-6-methyl-pyrazolo[1,5-a]pyrimidin-7-one Formula: C39H46ClN5O3 MolecularWeight: 668.26724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC)C1=CC(=C(C=C1)N=C2C(=NN3C2=NC(=C(C3=O)C)C4=CC(=CC=C4)Cl)C5=CC=CC=C5OCCC(C)OC)C

Isomeric SMILES

CCCCCCN(CC)C1=CC(=C(C=C1)N=C2C(=NN3C2=NC(=C(C3=O)C)C4=CC(=CC=C4)Cl)C5=CC=CC=C5OCCC(C)OC)C

InChI

InChI=1S/C39H46ClN5O3/c1-7-9-10-13-22-44(8-2)31-19-20-33(26(3)24-31)41-37-36(32-17-11-12-18-34(32)48-23-21-27(4)47-6)43-45-38(37)42-35(28(5)39(45)46)29-15-14-16-30(40)25-29/h11-12,14-20,24-25,27H,7-10,13,21-23H2,1-6H3