4-[3-[5-azanyl-2-(2-azanylpropan-2-yl)-5-methyl-cyclohexyl]-2-oxidanyl-propoxy]-1H-indole-2-carbonitrile

Systemtic Name: 4-[3-[5-azanyl-2-(2-azanylpropan-2-yl)-5-methyl-cyclohexyl]-2-oxidanyl-propoxy]-1H-indole-2-carbonitrile Openeye Name: 4-[3-[5-amino-2-(1-amino-1-methyl-ethyl)-5-methyl-cyclohexyl]-2-hydroxy-propoxy]-1H-indole-2-carbonitrile CAS Name: 4-[3-[5-amino-2-(2-aminopropan-2-yl)-5-methylcyclohexyl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile IUPAC Name: 4-[3-[5-amino-2-(2-aminopropan-2-yl)-5-methylcyclohexyl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile Traditional Name: 4-[3-[5-amino-2-(1-amino-1-methyl-ethyl)-5-methyl-cyclohexyl]-2-hydroxy-propoxy]-1H-indole-2-carbonitrile Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2/c1-21(2,24)18-7-8-22(3,25)11-14(18)9-16(27)13-28-20-6-4-5-19-17(20)10-15(12-23)26-19/h4-6,10,14,16,18,26-27H,7-9,11,13,24-25H2,1-3H3