2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-phenethyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C28H26N4O4S MolecularWeight: 514.59544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CCC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O4S/c33-26(30-14-4-5-15-30)22-11-12-24-25(18-22)29-28(37-19-21-9-6-10-23(17-21)32(35)36)31(27(24)34)16-13-20-7-2-1-3-8-20/h1-3,6-12,17-18H,4-5,13-16,19H2