cyclopropyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(4-phenylquinazolin-2-yl)methyl]azanium

Systemtic Name: cyclopropyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(4-phenylquinazolin-2-yl)methyl]azanium Openeye Name: cyclopropyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(4-phenylquinazolin-2-yl)methyl]ammonium CAS Name: cyclopropyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(4-phenyl-2-quinazolinyl)methyl]ammonium IUPAC Name: cyclopropyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(4-phenylquinazolin-2-yl)methyl]azanium Traditional Name: cyclopropyl-[4-(methylcarbamoyl)benzyl]-[(4-phenylquinazolin-2-yl)methyl]ammonium Formula: C27H27N4O+ MolecularWeight: 423.52948

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](CC2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C5CC5

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](CC2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C27H26N4O/c1-28-27(32)21-13-11-19(12-14-21)17-31(22-15-16-22)18-25-29-24-10-6-5-9-23(24)26(30-25)20-7-3-2-4-8-20/h2-14,22H,15-18H2,1H3,(H,28,32)/p+1