1-(4-cyclohexylpiperazin-1-yl)-3-methyl-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate

Systemtic Name: 1-(4-cyclohexylpiperazin-1-yl)-3-methyl-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Openeye Name: 2-benzyl-1-(4-cyclohexylpiperazin-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate CAS Name: 1-(4-cyclohexyl-1-piperazinyl)-3-methyl-2-(phenylmethyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile hydrate IUPAC Name: 2-benzyl-1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Traditional Name: 2-benzyl-1-(4-cyclohexylpiperazino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Formula: C30H35N5O MolecularWeight: 481.6318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)N5CCN(CC5)C6CCCCC6)C#N.O

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)N5CCN(CC5)C6CCCCC6)C#N.O

InChI

InChI=1S/C30H33N5.H2O/c1-22-25(20-23-10-4-2-5-11-23)30(34-18-16-33(17-19-34)24-12-6-3-7-13-24)35-28-15-9-8-14-27(28)32-29(35)26(22)21-31;/h2,4-5,8-11,14-15,24H,3,6-7,12-13,16-20H2,1H3;1H2