3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-ethyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)NC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)NC5=CC=CC=C54

InChI

InChI=1S/C23H23N5O2/c29-20(27-12-10-26(11-13-27)14-17-6-2-1-3-7-17)15-28-16-24-21-18-8-4-5-9-19(18)25-22(21)23(28)30/h1-9,16,25H,10-15H2