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

Systemtic Name: 3-[3-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxo-propyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[3-[4-(4-acetylphenyl)-1-piperazinyl]-3-oxopropyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[3-[4-(4-acetylphenyl)piperazino]-3-keto-propyl]-8-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O3/c1-17-3-8-22-21(15-17)24-25(28-22)26(34)31(16-27-24)10-9-23(33)30-13-11-29(12-14-30)20-6-4-19(5-7-20)18(2)32/h3-8,15-16,28H,9-14H2,1-2H3