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

Systemtic Name: 4-[[2-(morpholin-4-ylmethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide Openeye Name: 4-[[2-(morpholinomethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 4-[[2-(4-morpholinylmethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 4-[[2-(morpholin-4-ylmethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 4-[[4-keto-2-(morpholinomethyl)-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)CN3CCOCC3)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)CN3CCOCC3)C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

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