(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O3/c1-4-7-27-13(2)8-15(14(27)3)9-16(11-24)22(29)30-12-20-25-19-10-17(23)5-6-18(19)21(28)26-20/h5-6,8-10H,4,7,12H2,1-3H3,(H,25,26,28)/b16-9+