4-(4-oxidanylidenequinazolin-3-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]butanamide

Systemtic Name: 4-(4-oxidanylidenequinazolin-3-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]butanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: 4-(4-oxo-3-quinazolinyl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]butanamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C29H32N5O2+ MolecularWeight: 482.59668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C29H31N5O2/c35-28(11-6-16-34-22-30-27-10-5-4-9-26(27)29(34)36)31-24-12-14-25(15-13-24)33-19-17-32(18-20-33)21-23-7-2-1-3-8-23/h1-5,7-10,12-15,22H,6,11,16-21H2,(H,31,35)/p+1