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

Systemtic Name: 1-[[4-[1-(azepan-2-yl)ethoxy]phenyl]methyl]-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole-3-carbonitrile Openeye Name: 1-[[4-[1-(azepan-2-yl)ethoxy]phenyl]methyl]-5-benzyloxy-2-(4-benzyloxyphenyl)indole-3-carbonitrile CAS Name: 1-[[4-[1-(2-azepanyl)ethoxy]phenyl]methyl]-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-3-indolecarbonitrile IUPAC Name: 1-[[4-[1-(azepan-2-yl)ethoxy]phenyl]methyl]-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole-3-carbonitrile Traditional Name: 1-[4-[1-(azepan-2-yl)ethoxy]benzyl]-5-benzoxy-2-(4-benzoxyphenyl)indole-3-carbonitrile Formula: C44H43N3O3 MolecularWeight: 661.83052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCCN1)OC2=CC=C(C=C2)CN3C4=C(C=C(C=C4)OCC5=CC=CC=C5)C(=C3C6=CC=C(C=C6)OCC7=CC=CC=C7)C#N

Isomeric SMILES

CC(C1CCCCCN1)OC2=CC=C(C=C2)CN3C4=C(C=C(C=C4)OCC5=CC=CC=C5)C(=C3C6=CC=C(C=C6)OCC7=CC=CC=C7)C#N

InChI

InChI=1S/C44H43N3O3/c1-32(42-15-9-4-10-26-46-42)50-38-20-16-33(17-21-38)29-47-43-25-24-39(49-31-35-13-7-3-8-14-35)27-40(43)41(28-45)44(47)36-18-22-37(23-19-36)48-30-34-11-5-2-6-12-34/h2-3,5-8,11-14,16-25,27,32,42,46H,4,9-10,15,26,29-31H2,1H3