1-[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: 1-[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[3-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl]isonipecotamide Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NC3CCCCC3)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC3CCCCC3)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C25H30N6O3/c1-16-6-5-11-31-22(16)29-23(30-12-9-17(10-13-30)21(27)32)20(25(31)34)14-18(15-26)24(33)28-19-7-3-2-4-8-19/h5-6,11,14,17,19H,2-4,7-10,12-13H2,1H3,(H2,27,32)(H,28,33)/b18-14+