N-(2-methylpropyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propanamide

Systemtic Name: N-(2-methylpropyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-isobutyl-3-phenyl-propanamide CAS Name: N-(2-methylpropyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenylpropanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-isobutyl-3-phenyl-propionamide Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3/c1-20(2)17-29-28(32)16-24(22-11-7-4-8-12-22)26-19-30(18-21-9-5-3-6-10-21)27-14-13-23(31(33)34)15-25(26)27/h3-15,19-20,24H,16-18H2,1-2H3,(H,29,32)