4-(2-ethylpiperidin-1-yl)-2-(4-nitrophenyl)quinazoline chloride

Systemtic Name: 4-(2-ethylpiperidin-1-yl)-2-(4-nitrophenyl)quinazoline chloride Openeye Name: 4-(2-ethyl-1-piperidyl)-2-(4-nitrophenyl)quinazoline chloride CAS Name: 4-(2-ethyl-1-piperidinyl)-2-(4-nitrophenyl)quinazoline chloride IUPAC Name: 4-(2-ethylpiperidin-1-yl)-2-(4-nitrophenyl)quinazoline chloride Traditional Name: 4-(2-ethylpiperidino)-2-(4-nitrophenyl)quinazoline chloride Formula: C21H22ClN4O2- MolecularWeight: 397.87798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCC1CCCCN1C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C21H22N4O2.ClH/c1-2-16-7-5-6-14-24(16)21-18-8-3-4-9-19(18)22-20(23-21)15-10-12-17(13-11-15)25(26)27;/h3-4,8-13,16H,2,5-7,14H2,1H3;1H/p-1