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

Systemtic Name: (E)-3-[2-(4-bromanylphenoxy)-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[2-(4-bromophenoxy)-7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[2-(4-bromophenoxy)-7-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[2-(4-bromophenoxy)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[2-(4-bromophenoxy)-4-keto-7-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C24H21BrN4O3 MolecularWeight: 493.35254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrN4O3/c1-16-5-10-21-27-22(32-19-8-6-18(25)7-9-19)20(24(31)29(21)15-16)13-17(14-26)23(30)28-11-3-2-4-12-28/h5-10,13,15H,2-4,11-12H2,1H3/b17-13+