ethyl 6-azanyl-4-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[5-(1-azepanylmethyl)-2,4-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[5-(azepan-1-ylmethyl)-2,4-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2C)C)CN3CCCCCC3)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2C)C)CN3CCCCCC3)C#N)N)C

InChI

InChI=1S/C25H33N3O3/c1-5-30-25(29)22-18(4)31-24(27)21(14-26)23(22)20-13-19(16(2)12-17(20)3)15-28-10-8-6-7-9-11-28/h12-13,23H,5-11,15,27H2,1-4H3