3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-8-methyl-2H-pyridazino[4,5-b]indol-4-one

Systemtic Name: 3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-8-methyl-2H-pyridazino[4,5-b]indol-4-one Openeye Name: 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-8-methyl-2H-pyridazino[4,5-b]indol-4-one CAS Name: 3-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-8-methyl-2H-pyridazino[4,5-b]indol-4-one IUPAC Name: 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-2H-pyridazino[4,5-b]indol-4-one Traditional Name: 3-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]-8-methyl-2H-pyridazin[4,5-b]indol-4-one Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C3C2=CNN(C3=O)CC(=O)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C3C2=CNN(C3=O)CC(=O)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C25H25N5O3/c1-16-3-8-22-20(13-16)21-14-26-30(25(33)24(21)27-22)15-23(32)29-11-9-28(10-12-29)19-6-4-18(5-7-19)17(2)31/h3-8,13-14,26H,9-12,15H2,1-2H3