3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-3-phenyl-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenyl-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-3-phenyl-1-pyrrolidino-propan-1-one Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC(C2=CC=CC=C2)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)CC(C2=CC=CC=C2)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3/c32-28(29-15-7-8-16-29)18-24(22-11-5-2-6-12-22)26-20-30(19-21-9-3-1-4-10-21)27-14-13-23(31(33)34)17-25(26)27/h1-6,9-14,17,20,24H,7-8,15-16,18-19H2