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

Systemtic Name: 3-[4-(diethylamino)-2-methyl-phenyl]imino-2-heptan-3-yl-6-heptyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-[4-(diethylamino)-2-methyl-phenyl]imino-2-(1-ethylpentyl)-6-heptyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-[4-(diethylamino)-2-methylphenyl]imino-2-heptan-3-yl-6-heptyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinone IUPAC Name: 3-[4-(diethylamino)-2-methylphenyl]imino-2-heptan-3-yl-6-heptyl-5-propylpyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-[4-(diethylamino)-2-methyl-phenyl]imino-2-(1-ethylpentyl)-6-heptyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-one Formula: C34H53N5O MolecularWeight: 547.81752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(N=C2C(=NC3=C(C=C(C=C3)N(CC)CC)C)C(=NN2C1=O)C(CC)CCCC)CCC

Isomeric SMILES

CCCCCCCC1=C(N=C2C(=NC3=C(C=C(C=C3)N(CC)CC)C)C(=NN2C1=O)C(CC)CCCC)CCC

InChI

InChI=1S/C34H53N5O/c1-8-14-16-17-18-21-28-30(19-10-3)36-33-32(31(37-39(33)34(28)40)26(11-4)20-15-9-2)35-29-23-22-27(24-25(29)7)38(12-5)13-6/h22-24,26H,8-21H2,1-7H3