N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[3-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(cyclobutanecarbonylamino)benzyl]-3-nitro-4-pyrrolidino-benzamide Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4/c28-22(18-9-10-20(21(14-18)27(30)31)26-11-1-2-12-26)24-15-16-5-3-8-19(13-16)25-23(29)17-6-4-7-17/h3,5,8-10,13-14,17H,1-2,4,6-7,11-12,15H2,(H,24,28)(H,25,29)