3-[4-[4-(2-hydroxyphenyl)-1,4-diazepan-1-yl]cyclohexyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-[4-(2-hydroxyphenyl)-1,4-diazepan-1-yl]cyclohexyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-(2-hydroxyphenyl)-1,4-diazepan-1-yl]cyclohexyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-(2-hydroxyphenyl)-1,4-diazepan-1-yl]cyclohexyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[4-(2-hydroxyphenyl)-1,4-diazepan-1-yl]cyclohexyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[4-(2-hydroxyphenyl)-1,4-diazepan-1-yl]cyclohexyl]-1H-indole-5-carbonitrile Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=CC=C2O)C3CCC(CC3)C4=CNC5=C4C=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN(C1)C2=CC=CC=C2O)C3CCC(CC3)C4=CNC5=C4C=C(C=C5)C#N

InChI

InChI=1S/C26H30N4O/c27-17-19-6-11-24-22(16-19)23(18-28-24)20-7-9-21(10-8-20)29-12-3-13-30(15-14-29)25-4-1-2-5-26(25)31/h1-2,4-6,11,16,18,20-21,28,31H,3,7-10,12-15H2