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

Systemtic Name: N-[3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl-[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]-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl-[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl-[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C28H27ClN4O4 MolecularWeight: 518.99138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H27ClN4O4/c1-19-16-21(12-13-23(19)29)37-18-25(34)33(17-20-8-3-2-4-9-20)15-7-14-30-28(36)26-31-24-11-6-5-10-22(24)27(35)32-26/h2-6,8-13,16H,7,14-15,17-18H2,1H3,(H,30,36)(H,31,32,35)