1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-5-oxidanyl-indole-3-carbonitrile

Systemtic Name: 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-5-oxidanyl-indole-3-carbonitrile Openeye Name: 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-hydroxy-2-(4-hydroxyphenyl)indole-3-carbonitrile CAS Name: 1-[[4-[2-(1-azepanyl)ethoxy]phenyl]methyl]-5-hydroxy-2-(4-hydroxyphenyl)-3-indolecarbonitrile IUPAC Name: 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-hydroxy-2-(4-hydroxyphenyl)indole-3-carbonitrile Traditional Name: 1-[4-[2-(azepan-1-yl)ethoxy]benzyl]-5-hydroxy-2-(4-hydroxyphenyl)indole-3-carbonitrile Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=C(C=C2)CN3C4=C(C=C(C=C4)O)C(=C3C5=CC=C(C=C5)O)C#N

Isomeric SMILES

C1CCCN(CC1)CCOC2=CC=C(C=C2)CN3C4=C(C=C(C=C4)O)C(=C3C5=CC=C(C=C5)O)C#N

InChI

InChI=1S/C30H31N3O3/c31-20-28-27-19-25(35)11-14-29(27)33(30(28)23-7-9-24(34)10-8-23)21-22-5-12-26(13-6-22)36-18-17-32-15-3-1-2-4-16-32/h5-14,19,34-35H,1-4,15-18,21H2