3-(4-fluorophenyl)-N-(2-methoxyethyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]propanamide

Systemtic Name: 3-(4-fluorophenyl)-N-(2-methoxyethyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide CAS Name: 3-(4-fluorophenyl)-N-(2-methoxyethyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]propanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-3-(4-fluorophenyl)-N-(2-methoxyethyl)propionamide Formula: C27H26FN3O4 MolecularWeight: 475.511443

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CC(C1=CC=C(C=C1)F)C2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

COCCNC(=O)CC(C1=CC=C(C=C1)F)C2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C27H26FN3O4/c1-35-14-13-29-27(32)16-23(20-7-9-21(28)10-8-20)25-18-30(17-19-5-3-2-4-6-19)26-12-11-22(31(33)34)15-24(25)26/h2-12,15,18,23H,13-14,16-17H2,1H3,(H,29,32)