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

Systemtic Name: N-butan-2-yl-3-(4-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-3-(4-fluorophenyl)-N-sec-butyl-propanamide CAS Name: N-butan-2-yl-3-(4-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]propanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-N-butan-2-yl-3-(4-fluorophenyl)propanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-3-(4-fluorophenyl)-N-sec-butyl-propionamide Formula: C28H28FN3O3 MolecularWeight: 473.538623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)NC(=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/C28H28FN3O3/c1-3-19(2)30-28(33)16-24(21-9-11-22(29)12-10-21)26-18-31(17-20-7-5-4-6-8-20)27-14-13-23(32(34)35)15-25(26)27/h4-15,18-19,24H,3,16-17H2,1-2H3,(H,30,33)