8-methyl-3-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 8-methyl-3-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-methyl-3-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[3-(4-benzylpiperazino)-3-keto-propyl]-8-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O2/c1-18-7-8-21-20(15-18)23-24(27-21)25(32)30(17-26-23)10-9-22(31)29-13-11-28(12-14-29)16-19-5-3-2-4-6-19/h2-8,15,17,27H,9-14,16H2,1H3