3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: 3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: 3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: 3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-[2-(4-tert-butylphenoxy)-4-keto-9-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=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)N3CCCCC3)OC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)N3CCCCC3)OC4=CC=C(C=C4)C(C)(C)C

InChI

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