3-[4-(diethylamino)-2-methyl-phenyl]imino-6-dodecyl-5-heptan-3-yl-2-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 3-[4-(diethylamino)-2-methyl-phenyl]imino-6-dodecyl-5-heptan-3-yl-2-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-[4-(diethylamino)-2-methyl-phenyl]imino-6-dodecyl-5-(1-ethylpentyl)-2-isopropyl-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-[4-(diethylamino)-2-methylphenyl]imino-6-dodecyl-5-heptan-3-yl-2-propan-2-yl-7-pyrazolo[1,5-a]pyrimidinone IUPAC Name: 3-[4-(diethylamino)-2-methylphenyl]imino-6-dodecyl-5-heptan-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-[4-(diethylamino)-2-methyl-phenyl]imino-5-(1-ethylpentyl)-2-isopropyl-6-lauryl-pyrazolo[1,5-a]pyrimidin-7-one Formula: C39H63N5O MolecularWeight: 617.95042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(N=C2C(=NC3=C(C=C(C=C3)N(CC)CC)C)C(=NN2C1=O)C(C)C)C(CC)CCCC

Isomeric SMILES

CCCCCCCCCCCCC1=C(N=C2C(=NC3=C(C=C(C=C3)N(CC)CC)C)C(=NN2C1=O)C(C)C)C(CC)CCCC

InChI

InChI=1S/C39H63N5O/c1-9-14-16-17-18-19-20-21-22-23-25-33-36(31(11-3)24-15-10-2)41-38-37(35(29(6)7)42-44(38)39(33)45)40-34-27-26-32(28-30(34)8)43(12-4)13-5/h26-29,31H,9-25H2,1-8H3