3-methyl-1-oxidanylidene-5-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-oxidanylidene-5-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 5-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propyl]-3-methyl-1-oxo-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 5-[2-hydroxy-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-3-methyl-1-oxo-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 5-[3-(4-benzylpiperazino)-2-hydroxy-propyl]-1-keto-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CN4CCN(CC4)CC5=CC=CC=C5)O

Isomeric SMILES

CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CN4CCN(CC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C27H29N5O2/c1-20-15-26(34)32-25-10-6-5-9-24(25)31(27(32)23(20)16-28)19-22(33)18-30-13-11-29(12-14-30)17-21-7-3-2-4-8-21/h2-10,15,22,33H,11-14,17-19H2,1H3