1-(2,5-diheptoxyphenyl)-4-methyl-2,6-bis(oxidanylidene)-3H-pyridine-5-carbonitrile

Systemtic Name: 1-(2,5-diheptoxyphenyl)-4-methyl-2,6-bis(oxidanylidene)-3H-pyridine-5-carbonitrile Openeye Name: 1-(2,5-diheptoxyphenyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile CAS Name: 1-(2,5-diheptoxyphenyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile IUPAC Name: 1-(2,5-diheptoxyphenyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carbonitrile Traditional Name: 1-(2,5-diheptoxyphenyl)-2,6-diketo-4-methyl-3H-pyridine-5-carbonitrile Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C(C=C1)OCCCCCCC)N2C(=O)CC(=C(C2=O)C#N)C

Isomeric SMILES

CCCCCCCOC1=CC(=C(C=C1)OCCCCCCC)N2C(=O)CC(=C(C2=O)C#N)C

InChI

InChI=1S/C27H38N2O4/c1-4-6-8-10-12-16-32-22-14-15-25(33-17-13-11-9-7-5-2)24(19-22)29-26(30)18-21(3)23(20-28)27(29)31/h14-15,19H,4-13,16-18H2,1-3H3