4-cyano-3-methyl-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]pyrido[1,2-a]benzimidazol-1-olate

Systemtic Name: 4-cyano-3-methyl-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]pyrido[1,2-a]benzimidazol-1-olate Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-olate CAS Name: 4-cyano-3-methyl-2-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1-pyrido[1,2-a]benzimidazololate IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-olate Traditional Name: 2-[3-(4-benzylpiperazino)-3-keto-propyl]-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-olate Formula: C27H26N5O2- MolecularWeight: 452.52764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(=O)N4CCN(CC4)CC5=CC=CC=C5)[O-])C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(=O)N4CCN(CC4)CC5=CC=CC=C5)[O-])C#N

InChI

InChI=1S/C27H27N5O2/c1-19-21(27(34)32-24-10-6-5-9-23(24)29-26(32)22(19)17-28)11-12-25(33)31-15-13-30(14-16-31)18-20-7-3-2-4-8-20/h2-10,34H,11-16,18H2,1H3/p-1