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

Systemtic Name: N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)propanamide CAS Name: N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]propanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)propanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)propionamide Formula: C28H29FN4O3 MolecularWeight: 488.553263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)CCNC(=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/C28H29FN4O3/c1-31(2)15-14-30-28(34)17-24(21-8-10-22(29)11-9-21)26-19-32(18-20-6-4-3-5-7-20)27-13-12-23(33(35)36)16-25(26)27/h3-13,16,19,24H,14-15,17-18H2,1-2H3,(H,30,34)