N-[3-[(4-chloranyl-3-nitro-phenyl)carbonyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[(4-chloranyl-3-nitro-phenyl)carbonyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl-(4-chloro-3-nitro-benzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(4-chloro-3-nitrophenyl)-oxomethyl]-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl-(4-chloro-3-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl-(4-chloro-3-nitro-benzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C26H22ClN5O5 MolecularWeight: 519.93638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H22ClN5O5/c27-20-12-11-18(15-22(20)32(36)37)26(35)31(16-17-7-2-1-3-8-17)14-6-13-28-25(34)23-29-21-10-5-4-9-19(21)24(33)30-23/h1-5,7-12,15H,6,13-14,16H2,(H,28,34)(H,29,30,33)