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

Systemtic Name: 3-methyl-2-(phenylmethyl)-1-[(phenylmethyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Openeye Name: 2-benzyl-1-(benzylamino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate CAS Name: 3-methyl-2-(phenylmethyl)-1-[(phenylmethyl)amino]-4-pyrido[1,2-a]benzimidazolecarbonitrile hydrate IUPAC Name: 2-benzyl-1-(benzylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Traditional Name: 2-benzyl-1-(benzylamino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Formula: C27H24N4O MolecularWeight: 420.50566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)NCC5=CC=CC=C5)C#N.O

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)NCC5=CC=CC=C5)C#N.O

InChI

InChI=1S/C27H22N4.H2O/c1-19-22(16-20-10-4-2-5-11-20)26(29-18-21-12-6-3-7-13-21)31-25-15-9-8-14-24(25)30-27(31)23(19)17-28;/h2-15,29H,16,18H2,1H3;1H2