N-[3-[(3-cyanophenyl)methyl]-4-oxidanyl-1-phenyl-butan-2-yl]-4-(4-methyl-2-nitro-phenyl)benzamide

Systemtic Name: N-[3-[(3-cyanophenyl)methyl]-4-oxidanyl-1-phenyl-butan-2-yl]-4-(4-methyl-2-nitro-phenyl)benzamide Openeye Name: N-[1-benzyl-2-[(3-cyanophenyl)methyl]-3-hydroxy-propyl]-4-(4-methyl-2-nitro-phenyl)benzamide CAS Name: N-[3-[(3-cyanophenyl)methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methyl-2-nitrophenyl)benzamide IUPAC Name: N-[3-[(3-cyanophenyl)methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methyl-2-nitrophenyl)benzamide Traditional Name: N-[1-benzyl-2-(3-cyanobenzyl)-3-hydroxy-propyl]-4-(4-methyl-2-nitro-phenyl)benzamide Formula: C32H29N3O4 MolecularWeight: 519.59036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(CC4=CC=CC(=C4)C#N)CO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(CC4=CC=CC(=C4)C#N)CO)[N+](=O)[O-]

InChI

InChI=1S/C32H29N3O4/c1-22-10-15-29(31(16-22)35(38)39)26-11-13-27(14-12-26)32(37)34-30(19-23-6-3-2-4-7-23)28(21-36)18-24-8-5-9-25(17-24)20-33/h2-17,28,30,36H,18-19,21H2,1H3,(H,34,37)