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

Systemtic Name: 4-[1-(azepan-2-yl)ethoxy]-2-(4-hydroxyphenyl)-5-oxidanyl-1-(phenylmethyl)indole-3-carbonitrile Openeye Name: 4-[1-(azepan-2-yl)ethoxy]-1-benzyl-5-hydroxy-2-(4-hydroxyphenyl)indole-3-carbonitrile CAS Name: 4-[1-(2-azepanyl)ethoxy]-5-hydroxy-2-(4-hydroxyphenyl)-1-(phenylmethyl)-3-indolecarbonitrile IUPAC Name: 4-[1-(azepan-2-yl)ethoxy]-1-benzyl-5-hydroxy-2-(4-hydroxyphenyl)indole-3-carbonitrile Traditional Name: 4-[1-(azepan-2-yl)ethoxy]-1-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=C(C=CC3=C2C(=C(N3CC4=CC=CC=C4)C5=CC=C(C=C5)O)C#N)O

Isomeric SMILES

CC(C1CCCCCN1)OC2=C(C=CC3=C2C(=C(N3CC4=CC=CC=C4)C5=CC=C(C=C5)O)C#N)O

InChI

InChI=1S/C30H31N3O3/c1-20(25-10-6-3-7-17-32-25)36-30-27(35)16-15-26-28(30)24(18-31)29(22-11-13-23(34)14-12-22)33(26)19-21-8-4-2-5-9-21/h2,4-5,8-9,11-16,20,25,32,34-35H,3,6-7,10,17,19H2,1H3