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

Systemtic Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]-methyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[[(E)-3-(4-chlorophenyl)acryloyl]-methyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O3/c1-27(19(28)12-9-15-7-10-16(23)11-8-15)14-4-13-24-22(30)20-25-18-6-3-2-5-17(18)21(29)26-20/h2-3,5-12H,4,13-14H2,1H3,(H,24,30)(H,25,26,29)/b12-9+