N-[3-[methyl-[(E)-3-phenylprop-2-enoyl]amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[methyl-[(E)-3-phenylprop-2-enoyl]amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[methyl-[(E)-3-phenylprop-2-enoyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[methyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[methyl-[(E)-3-phenylprop-2-enoyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[methyl-[(E)-3-phenylacryloyl]amino]propyl]-1H-quinazoline-2-carboxamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3/c1-26(19(27)13-12-16-8-3-2-4-9-16)15-7-14-23-22(29)20-24-18-11-6-5-10-17(18)21(28)25-20/h2-6,8-13H,7,14-15H2,1H3,(H,23,29)(H,24,25,28)/b13-12+