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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C=C3C(=C2)C(=O)N(C(=N3)C)CC4=CC=CC=C4)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C=C3C(=C2)C(=O)N(C(=N3)C)CC4=CC=CC=C4)N5CC[NH+](CC5)C

InChI

InChI=1S/C29H31N5O2/c1-20-9-11-23(12-10-20)28(35)31-26-17-24-25(18-27(26)33-15-13-32(3)14-16-33)30-21(2)34(29(24)36)19-22-7-5-4-6-8-22/h4-12,17-18H,13-16,19H2,1-3H3,(H,31,35)/p+1