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

Systemtic Name: (6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid (6-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)OCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)OCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-12-9-14(13(2)25(12)16-5-6-16)3-8-20(26)28-11-19-23-18-7-4-15(22)10-17(18)21(27)24-19/h3-4,7-10,16H,5-6,11H2,1-2H3,(H,23,24,27)/b8-3+