2-[3-[4-(benzimidazol-1-yl)butan-2-ylamino]-2-oxidanyl-propoxy]pyridine-3-carbonitrile

Systemtic Name: 2-[3-[4-(benzimidazol-1-yl)butan-2-ylamino]-2-oxidanyl-propoxy]pyridine-3-carbonitrile Openeye Name: 2-[3-[[3-(benzimidazol-1-yl)-1-methyl-propyl]amino]-2-hydroxy-propoxy]pyridine-3-carbonitrile CAS Name: 2-[3-[4-(1-benzimidazolyl)butan-2-ylamino]-2-hydroxypropoxy]-3-pyridinecarbonitrile IUPAC Name: 2-[3-[4-(benzimidazol-1-yl)butan-2-ylamino]-2-hydroxypropoxy]pyridine-3-carbonitrile Traditional Name: 2-[3-[[3-(benzimidazol-1-yl)-1-methyl-propyl]amino]-2-hydroxy-propoxy]nicotinonitrile Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=NC2=CC=CC=C21)NCC(COC3=C(C=CC=N3)C#N)O

Isomeric SMILES

CC(CCN1C=NC2=CC=CC=C21)NCC(COC3=C(C=CC=N3)C#N)O

InChI

InChI=1S/C20H23N5O2/c1-15(8-10-25-14-24-18-6-2-3-7-19(18)25)23-12-17(26)13-27-20-16(11-21)5-4-9-22-20/h2-7,9,14-15,17,23,26H,8,10,12-13H2,1H3