methyl 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]oxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C24H24N4O5/c1-5-8-28-14(2)9-17(15(28)3)10-18(12-25)24(31)33-13-21-26-20-11-16(23(30)32-4)6-7-19(20)22(29)27-21/h6-7,9-11H,5,8,13H2,1-4H3,(H,26,27,29)/b18-10+