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

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

CC(C1CCCCCN1)OC2=CC=C(C=C2)CN3C4=C(C=C(C=C4)O)C(=C3C5=CC=C(C=C5)O)C#N

Isomeric SMILES

CC(C1CCCCCN1)OC2=CC=C(C=C2)CN3C4=C(C=C(C=C4)O)C(=C3C5=CC=C(C=C5)O)C#N

InChI

InChI=1S/C30H31N3O3/c1-20(28-5-3-2-4-16-32-28)36-25-13-6-21(7-14-25)19-33-29-15-12-24(35)17-26(29)27(18-31)30(33)22-8-10-23(34)11-9-22/h6-15,17,20,28,32,34-35H,2-5,16,19H2,1H3