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

Systemtic Name: N-[3-[(3-cyanophenyl)methyl]-4-oxidanyl-1-phenyl-butan-2-yl]-4-(3-nitrophenyl)benzamide Openeye Name: N-[1-benzyl-2-[(3-cyanophenyl)methyl]-3-hydroxy-propyl]-4-(3-nitrophenyl)benzamide CAS Name: N-[3-[(3-cyanophenyl)methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(3-nitrophenyl)benzamide IUPAC Name: N-[3-[(3-cyanophenyl)methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(3-nitrophenyl)benzamide Traditional Name: N-[1-benzyl-2-(3-cyanobenzyl)-3-hydroxy-propyl]-4-(3-nitrophenyl)benzamide Formula: C31H27N3O4 MolecularWeight: 505.56378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CC2=CC=CC(=C2)C#N)CO)NC(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(CC2=CC=CC(=C2)C#N)CO)NC(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H27N3O4/c32-20-24-9-4-8-23(16-24)17-28(21-35)30(18-22-6-2-1-3-7-22)33-31(36)26-14-12-25(13-15-26)27-10-5-11-29(19-27)34(37)38/h1-16,19,28,30,35H,17-18,21H2,(H,33,36)