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

Systemtic Name: 3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-N-(2-piperidin-1-ylethyl)propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-3-(3-fluorophenyl)-N-[2-(1-piperidyl)ethyl]propanamide CAS Name: 3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-N-[2-(1-piperidinyl)ethyl]propanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)propanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-3-(3-fluorophenyl)-N-(2-piperidinoethyl)propionamide Formula: C31H33FN4O3 MolecularWeight: 528.617123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)CC(C2=CC(=CC=C2)F)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCNC(=O)CC(C2=CC(=CC=C2)F)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C31H33FN4O3/c32-25-11-7-10-24(18-25)27(20-31(37)33-14-17-34-15-5-2-6-16-34)29-22-35(21-23-8-3-1-4-9-23)30-13-12-26(36(38)39)19-28(29)30/h1,3-4,7-13,18-19,22,27H,2,5-6,14-17,20-21H2,(H,33,37)