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

Systemtic Name: N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-methyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[[(E)-3-(4-methoxyphenyl)acryloyl]-methyl-amino]propyl]-1H-quinazoline-2-carboxamide Formula: C23H24N4O4 MolecularWeight: 420.46106

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O4/c1-27(20(28)13-10-16-8-11-17(31-2)12-9-16)15-5-14-24-23(30)21-25-19-7-4-3-6-18(19)22(29)26-21/h3-4,6-13H,5,14-15H2,1-2H3,(H,24,30)(H,25,26,29)/b13-10+