3-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-[(3-nitrophenyl)methyl]-2,4-bis(oxidanylidene)quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-[(3-nitrophenyl)methyl]-2,4-bis(oxidanylidene)quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-7-quinazolinecarboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-[(3-nitrophenyl)methyl]-2,4-dioxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-2,4-diketo-1-(3-nitrobenzyl)-3-piperonyl-quinazoline-7-carboxamide Formula: C29H26N4O7 MolecularWeight: 542.53934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3CC4=CC(=CC=C4)[N+](=O)[O-])CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3CC4=CC(=CC=C4)[N+](=O)[O-])CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H26N4O7/c34-27(30-21-5-1-2-6-21)20-9-10-23-24(14-20)31(15-18-4-3-7-22(12-18)33(37)38)29(36)32(28(23)35)16-19-8-11-25-26(13-19)40-17-39-25/h3-4,7-14,21H,1-2,5-6,15-17H2,(H,30,34)