7,7-dimethyl-2-(pyridin-4-ylmethyl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one hydrate

Systemtic Name: 7,7-dimethyl-2-(pyridin-4-ylmethyl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one hydrate Openeye Name: 7,7-dimethyl-2-(4-pyridylmethyl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one hydrate CAS Name: 7,7-dimethyl-2-(pyridin-4-ylmethyl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one hydrate IUPAC Name: 7,7-dimethyl-2-(pyridin-4-ylmethyl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one hydrate Traditional Name: 7,7-dimethyl-2-(4-pyridylmethyl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one hydrate Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC3=C(C=C2NC1=O)N=C(N3)CC4=CC=NC=C4)C.O

Isomeric SMILES

CC1(C2=CC3=C(C=C2NC1=O)N=C(N3)CC4=CC=NC=C4)C.O

InChI

InChI=1S/C17H16N4O.H2O/c1-17(2)11-8-13-14(9-12(11)21-16(17)22)20-15(19-13)7-10-3-5-18-6-4-10;/h3-6,8-9H,7H2,1-2H3,(H,19,20)(H,21,22);1H2