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

Systemtic Name: N-(3-methylbutan-2-yl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-(1,2-dimethylpropyl)-3-phenyl-propanamide CAS Name: N-(3-methylbutan-2-yl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenylpropanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-N-(3-methylbutan-2-yl)-3-phenylpropanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-(1,2-dimethylpropyl)-3-phenyl-propionamide Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O3/c1-20(2)21(3)30-29(33)17-25(23-12-8-5-9-13-23)27-19-31(18-22-10-6-4-7-11-22)28-15-14-24(32(34)35)16-26(27)28/h4-16,19-21,25H,17-18H2,1-3H3,(H,30,33)