3-nitro-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-4-piperidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-(1-piperidyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-nitro-N-(2-oxolanylmethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-N-(oxolan-2-ylmethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidin-1-ylbenzamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-3-nitro-4-piperidino-N-(tetrahydrofurfuryl)benzamide Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(CC3CCCO3)CC4=NC(=O)C5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(CC3CCCO3)CC4=NC(=O)C5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O5/c32-25-20-8-2-3-9-21(20)27-24(28-25)17-30(16-19-7-6-14-36-19)26(33)18-10-11-22(23(15-18)31(34)35)29-12-4-1-5-13-29/h2-3,8-11,15,19H,1,4-7,12-14,16-17H2,(H,27,28,32)