3-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Systemtic Name: 3-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione CAS Name: 3-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Traditional Name: 3-[2-(4-benzylpiperazino)ethyl]-1,5-dihydropyrimid[5,4-b]indole-2,4-quinone Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=C(C4=CC=CC=C4N3)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=C(C4=CC=CC=C4N3)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H25N5O2/c29-22-21-20(18-8-4-5-9-19(18)24-21)25-23(30)28(22)15-14-26-10-12-27(13-11-26)16-17-6-2-1-3-7-17/h1-9,24H,10-16H2,(H,25,30)