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

Systemtic Name: N-[3-[(2-methyl-3-nitro-phenyl)carbonyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl-(2-methyl-3-nitro-benzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(2-methyl-3-nitrophenyl)-oxomethyl]-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl-(2-methyl-3-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl-(2-methyl-3-nitro-benzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C27H25N5O5 MolecularWeight: 499.5179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C27H25N5O5/c1-18-20(12-7-14-23(18)32(36)37)27(35)31(17-19-9-3-2-4-10-19)16-8-15-28-26(34)24-29-22-13-6-5-11-21(22)25(33)30-24/h2-7,9-14H,8,15-17H2,1H3,(H,28,34)(H,29,30,33)