2,2-dimethyl-N-[2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-3-(phenylmethyl)quinazolin-6-yl]propanamide

Systemtic Name: 2,2-dimethyl-N-[2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-3-(phenylmethyl)quinazolin-6-yl]propanamide Openeye Name: N-[3-benzyl-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-quinazolin-6-yl]-2,2-dimethyl-propanamide CAS Name: 2,2-dimethyl-N-[2-methyl-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-(phenylmethyl)-6-quinazolinyl]propanamide IUPAC Name: N-[3-benzyl-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide Traditional Name: N-[3-benzyl-4-keto-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)quinazolin-6-yl]-2,2-dimethyl-propionamide Formula: C26H34N5O2+ MolecularWeight: 448.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2C(=O)N1CC3=CC=CC=C3)NC(=O)C(C)(C)C)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=NC2=CC(=C(C=C2C(=O)N1CC3=CC=CC=C3)NC(=O)C(C)(C)C)N4CC[NH+](CC4)C

InChI

InChI=1S/C26H33N5O2/c1-18-27-21-16-23(30-13-11-29(5)12-14-30)22(28-25(33)26(2,3)4)15-20(21)24(32)31(18)17-19-9-7-6-8-10-19/h6-10,15-16H,11-14,17H2,1-5H3,(H,28,33)/p+1