2-[2-[1-azanyl-3-phenyl-2-(phenylmethyl)propan-2-yl]-5-methoxy-1H-indol-3-yl]ethanenitrile

Systemtic Name: 2-[2-[1-azanyl-3-phenyl-2-(phenylmethyl)propan-2-yl]-5-methoxy-1H-indol-3-yl]ethanenitrile Openeye Name: 2-[2-[1-(aminomethyl)-1-benzyl-2-phenyl-ethyl]-5-methoxy-1H-indol-3-yl]acetonitrile CAS Name: 2-[2-[1-amino-3-phenyl-2-(phenylmethyl)propan-2-yl]-5-methoxy-1H-indol-3-yl]acetonitrile IUPAC Name: 2-[2-(1-amino-2-benzyl-3-phenylpropan-2-yl)-5-methoxy-1H-indol-3-yl]acetonitrile Traditional Name: 2-[2-[1-(aminomethyl)-1-benzyl-2-phenyl-ethyl]-5-methoxy-1H-indol-3-yl]acetonitrile Formula: C27H27N3O MolecularWeight: 409.52278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2CC#N)C(CC3=CC=CC=C3)(CC4=CC=CC=C4)CN

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2CC#N)C(CC3=CC=CC=C3)(CC4=CC=CC=C4)CN

InChI

InChI=1S/C27H27N3O/c1-31-22-12-13-25-24(16-22)23(14-15-28)26(30-25)27(19-29,17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-13,16,30H,14,17-19,29H2,1H3