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

Systemtic Name: N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]propyl]-1H-quinazoline-2-carboxamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H22N4O4/c1-30-16-10-7-15(8-11-16)9-12-19(27)23-13-4-14-24-22(29)20-25-18-6-3-2-5-17(18)21(28)26-20/h2-3,5-12H,4,13-14H2,1H3,(H,23,27)(H,24,29)(H,25,26,28)/b12-9+