4-[3-[2-[(2,6-dimethylphenyl)amino]ethylamino]-2-oxidanyl-propoxy]-1H-indole-2-carbonitrile

Systemtic Name: 4-[3-[2-[(2,6-dimethylphenyl)amino]ethylamino]-2-oxidanyl-propoxy]-1H-indole-2-carbonitrile Openeye Name: 4-[3-[2-(2,6-dimethylanilino)ethylamino]-2-hydroxy-propoxy]-1H-indole-2-carbonitrile CAS Name: 4-[3-[2-(2,6-dimethylanilino)ethylamino]-2-hydroxypropoxy]-1H-indole-2-carbonitrile IUPAC Name: 4-[3-[2-(2,6-dimethylanilino)ethylamino]-2-hydroxypropoxy]-1H-indole-2-carbonitrile Traditional Name: 4-[3-[2-(2,6-dimethylanilino)ethylamino]-2-hydroxy-propoxy]-1H-indole-2-carbonitrile Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NCCNCC(COC2=CC=CC3=C2C=C(N3)C#N)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NCCNCC(COC2=CC=CC3=C2C=C(N3)C#N)O

InChI

InChI=1S/C22H26N4O2/c1-15-5-3-6-16(2)22(15)25-10-9-24-13-18(27)14-28-21-8-4-7-20-19(21)11-17(12-23)26-20/h3-8,11,18,24-27H,9-10,13-14H2,1-2H3