N-[2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-3-(phenylmethyl)quinazolin-6-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-3-(phenylmethyl)quinazolin-6-yl]-2-phenyl-ethanamide Openeye Name: N-[3-benzyl-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-quinazolin-6-yl]-2-phenyl-acetamide CAS Name: N-[2-methyl-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-(phenylmethyl)-6-quinazolinyl]-2-phenylacetamide IUPAC Name: N-[3-benzyl-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinazolin-6-yl]-2-phenylacetamide Traditional Name: N-[3-benzyl-4-keto-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)quinazolin-6-yl]-2-phenyl-acetamide Formula: C29H32N5O2+ MolecularWeight: 482.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2C(=O)N1CC3=CC=CC=C3)NC(=O)CC4=CC=CC=C4)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=NC2=CC(=C(C=C2C(=O)N1CC3=CC=CC=C3)NC(=O)CC4=CC=CC=C4)N5CC[NH+](CC5)C

InChI

InChI=1S/C29H31N5O2/c1-21-30-25-19-27(33-15-13-32(2)14-16-33)26(31-28(35)17-22-9-5-3-6-10-22)18-24(25)29(36)34(21)20-23-11-7-4-8-12-23/h3-12,18-19H,13-17,20H2,1-2H3,(H,31,35)/p+1