N-[(3-nitrophenyl)methyl]-4-[[4-oxidanylidene-2-[(3-oxidanylpyrrolidin-1-yl)methyl]-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzamide

Systemtic Name: N-[(3-nitrophenyl)methyl]-4-[[4-oxidanylidene-2-[(3-oxidanylpyrrolidin-1-yl)methyl]-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzamide Openeye Name: 4-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 4-[[2-[(3-hydroxy-1-pyrrolidinyl)methyl]-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 4-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 4-[[2-[(3-hydroxypyrrolidino)methyl]-4-keto-1H-quinazolin-6-yl]methyl-propargyl-amino]-N-(3-nitrobenzyl)benzamide Formula: C31H30N6O5 MolecularWeight: 566.6071

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CN3CCC(C3)O)C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CN3CCC(C3)O)C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H30N6O5/c1-2-13-36(24-9-7-23(8-10-24)30(39)32-17-21-4-3-5-25(15-21)37(41)42)18-22-6-11-28-27(16-22)31(40)34-29(33-28)20-35-14-12-26(38)19-35/h1,3-11,15-16,26,38H,12-14,17-20H2,(H,32,39)(H,33,34,40)