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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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