(E)-N-(4-imidazol-1-ylbutyl)-3-(4-oxidanylidene-6-propan-2-yl-quinazolin-3-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-imidazol-1-ylbutyl)-3-(4-oxidanylidene-6-propan-2-yl-quinazolin-3-yl)prop-2-enamide Openeye Name: (E)-N-(4-imidazol-1-ylbutyl)-3-(6-isopropyl-4-oxo-quinazolin-3-yl)prop-2-enamide CAS Name: (E)-N-[4-(1-imidazolyl)butyl]-3-(4-oxo-6-propan-2-yl-3-quinazolinyl)-2-propenamide IUPAC Name: (E)-N-(4-imidazol-1-ylbutyl)-3-(4-oxo-6-propan-2-ylquinazolin-3-yl)prop-2-enamide Traditional Name: (E)-N-(4-imidazol-1-ylbutyl)-3-(6-isopropyl-4-keto-quinazolin-3-yl)acrylamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=CN(C2=O)C=CC(=O)NCCCCN3C=CN=C3

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=CN(C2=O)/C=C/C(=O)NCCCCN3C=CN=C3

InChI

InChI=1S/C21H25N5O2/c1-16(2)17-5-6-19-18(13-17)21(28)26(15-24-19)11-7-20(27)23-8-3-4-10-25-12-9-22-14-25/h5-7,9,11-16H,3-4,8,10H2,1-2H3,(H,23,27)/b11-7+