(E)-3-[2-(4-tert-butylphenoxy)-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[2-(4-tert-butylphenoxy)-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[2-(4-tert-butylphenoxy)-7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[2-(4-tert-butylphenoxy)-7-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[2-(4-tert-butylphenoxy)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[2-(4-tert-butylphenoxy)-4-keto-7-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=C(C2=O)C=C(C#N)C(=O)N3CCCCC3)OC4=CC=C(C=C4)C(C)(C)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=C(C2=O)/C=C(\C#N)/C(=O)N3CCCCC3)OC4=CC=C(C=C4)C(C)(C)C)C=C1

InChI

InChI=1S/C28H30N4O3/c1-19-8-13-24-30-25(35-22-11-9-21(10-12-22)28(2,3)4)23(27(34)32(24)18-19)16-20(17-29)26(33)31-14-6-5-7-15-31/h8-13,16,18H,5-7,14-15H2,1-4H3/b20-16+