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

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

C1CCCN(CC1)CCOC2=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

C1CCCN(CC1)CCOC2=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/c45-30-42-41-29-40(50-33-36-13-7-4-8-14-36)23-24-43(41)47(44(42)37-17-21-39(22-18-37)49-32-35-11-5-3-6-12-35)31-34-15-19-38(20-16-34)48-28-27-46-25-9-1-2-10-26-46/h3-8,11-24,29H,1-2,9-10,25-28,31-33H2