N-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-3-nitro-N-(phenylmethyl)benzamide

Systemtic Name: N-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-3-nitro-benzamide CAS Name: N-[1-[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]propyl]-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-nitrobenzamide Traditional Name: N-benzyl-N-[1-[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]propyl]-3-nitro-benzamide Formula: C33H30N4O4 MolecularWeight: 546.6157

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(CC)N(CC4=CC=CC=C4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(CC)N(CC4=CC=CC=C4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H30N4O4/c1-3-23-17-19-26(20-18-23)36-31(34-29-16-9-8-15-28(29)33(36)39)30(4-2)35(22-24-11-6-5-7-12-24)32(38)25-13-10-14-27(21-25)37(40)41/h5-21,30H,3-4,22H2,1-2H3