2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one Formula: C25H27N4O+ MolecularWeight: 399.50808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC(=NC=C2C(=O)C1)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=NC(=NC=C2C(=O)C1)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4O/c30-23-13-7-12-22-21(23)18-26-25(27-22)29-16-14-28(15-17-29)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,18,24H,7,12-17H2/p+1