3-nitro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(4-isopropylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-(2-p-cumenyl-1,3-benzoxazol-5-yl)-4-pyrrolidino-benzamide Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O4/c1-17(2)18-5-7-19(8-6-18)27-29-22-16-21(10-12-25(22)35-27)28-26(32)20-9-11-23(24(15-20)31(33)34)30-13-3-4-14-30/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,28,32)