3-nitro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(isopropylcarbamoylamino)benzyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4/c1-15(2)24-22(29)25-18-8-5-16(6-9-18)14-23-21(28)17-7-10-19(20(13-17)27(30)31)26-11-3-4-12-26/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,23,28)(H2,24,25,29)