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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3/c1-2-3-16-29-28(32)18-24(22-12-8-5-9-13-22)26-20-30(19-21-10-6-4-7-11-21)27-15-14-23(31(33)34)17-25(26)27/h4-15,17,20,24H,2-3,16,18-19H2,1H3,(H,29,32)