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

Systemtic Name: N-hexyl-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-hexyl-3-phenyl-propanamide CAS Name: N-hexyl-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenylpropanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-N-hexyl-3-phenylpropanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-hexyl-3-phenyl-propionamide Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O3/c1-2-3-4-11-18-31-30(34)20-26(24-14-9-6-10-15-24)28-22-32(21-23-12-7-5-8-13-23)29-17-16-25(33(35)36)19-27(28)29/h5-10,12-17,19,22,26H,2-4,11,18,20-21H2,1H3,(H,31,34)