3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-N-propyl-propanamide

Systemtic Name: 3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-N-propyl-propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-3-phenyl-N-propyl-propanamide CAS Name: 3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenyl-N-propylpropanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-3-phenyl-N-propylpropanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-3-phenyl-N-propyl-propionamide Formula: C27H27N3O3 MolecularWeight: 441.52158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3/c1-2-15-28-27(31)17-23(21-11-7-4-8-12-21)25-19-29(18-20-9-5-3-6-10-20)26-14-13-22(30(32)33)16-24(25)26/h3-14,16,19,23H,2,15,17-18H2,1H3,(H,28,31)