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

Systemtic Name: 5-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 5-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propyl]-3-methyl-1-oxo-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 5-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropyl]-3-methyl-1-oxo-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 5-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 5-[3-(4-benzhydrylpiperazino)-2-hydroxy-propyl]-1-keto-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C33H33N5O2 MolecularWeight: 531.64742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C33H33N5O2/c1-24-20-31(40)38-30-15-9-8-14-29(30)37(33(38)28(24)21-34)23-27(39)22-35-16-18-36(19-17-35)32(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-15,20,27,32,39H,16-19,22-23H2,1H3