N-[3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)Cl

InChI

InChI=1S/C21H21ClN4O4/c1-13-11-14(7-8-16(13)22)30-12-18(27)23-9-4-10-24-21(29)19-25-17-6-3-2-5-15(17)20(28)26-19/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,23,27)(H,24,29)(H,25,26,28)