4-[(2-hexadecoxyphenyl)methyl]-2-methyl-5,7-bis(oxidanylidene)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 4-[(2-hexadecoxyphenyl)methyl]-2-methyl-5,7-bis(oxidanylidene)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 4-[(2-hexadecoxyphenyl)methyl]-2-methyl-5,7-dioxo-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 4-[(2-hexadecoxyphenyl)methyl]-2-methyl-5,7-dioxo-3-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 4-[(2-hexadecoxyphenyl)methyl]-2-methyl-5,7-dioxopyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 4-(2-cetyloxybenzyl)-5,7-diketo-2-methyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C31H44N4O3 MolecularWeight: 520.70606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1CN2C(=O)CC(=O)N3C2=C(C(=N3)C)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1CN2C(=O)CC(=O)N3C2=C(C(=N3)C)C#N

InChI

InChI=1S/C31H44N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-38-28-20-17-16-19-26(28)24-34-29(36)22-30(37)35-31(34)27(23-32)25(2)33-35/h16-17,19-20H,3-15,18,21-22,24H2,1-2H3