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

Systemtic Name: N-(2-dimethylaminoethyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-(2-dimethylaminoethyl)-3-phenyl-propanamide CAS Name: N-(2-dimethylaminoethyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenylpropanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-N-(2-dimethylaminoethyl)-3-phenylpropanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-(2-dimethylaminoethyl)-3-phenyl-propionamide Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O3/c1-30(2)16-15-29-28(33)18-24(22-11-7-4-8-12-22)26-20-31(19-21-9-5-3-6-10-21)27-14-13-23(32(34)35)17-25(26)27/h3-14,17,20,24H,15-16,18-19H2,1-2H3,(H,29,33)