N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenylpropanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-homoveratryl-3-phenyl-propionamide Formula: C34H33N3O5 MolecularWeight: 563.64292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CC(C2=CC=CC=C2)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CC(C2=CC=CC=C2)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5)OC

InChI

InChI=1S/C34H33N3O5/c1-41-32-16-13-24(19-33(32)42-2)17-18-35-34(38)21-28(26-11-7-4-8-12-26)30-23-36(22-25-9-5-3-6-10-25)31-15-14-27(37(39)40)20-29(30)31/h3-16,19-20,23,28H,17-18,21-22H2,1-2H3,(H,35,38)