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

Systemtic Name: N-(2-cyanoethyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-(2-cyanoethyl)-3-phenyl-N-(3-pyridylmethyl)propanamide CAS Name: N-(2-cyanoethyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenyl-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-N-(2-cyanoethyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-N-(2-cyanoethyl)-3-phenyl-N-(3-pyridylmethyl)propionamide Formula: C33H29N5O3 MolecularWeight: 543.61506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])C(CC(=O)N(CCC#N)CC4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])C(CC(=O)N(CCC#N)CC4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H29N5O3/c34-16-8-18-36(23-26-11-7-17-35-21-26)33(39)20-29(27-12-5-2-6-13-27)31-24-37(22-25-9-3-1-4-10-25)32-15-14-28(38(40)41)19-30(31)32/h1-7,9-15,17,19,21,24,29H,8,18,20,22-23H2