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

Systemtic Name: N-cyclopropyl-3-(4-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-cyclopropyl-3-(4-fluorophenyl)propanamide CAS Name: N-cyclopropyl-3-(4-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]propanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-N-cyclopropyl-3-(4-fluorophenyl)propanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-cyclopropyl-3-(4-fluorophenyl)propionamide Formula: C27H24FN3O3 MolecularWeight: 457.496163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CC(C2=CC=C(C=C2)F)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)CC(C2=CC=C(C=C2)F)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C27H24FN3O3/c28-20-8-6-19(7-9-20)23(15-27(32)29-21-10-11-21)25-17-30(16-18-4-2-1-3-5-18)26-13-12-22(31(33)34)14-24(25)26/h1-9,12-14,17,21,23H,10-11,15-16H2,(H,29,32)