4-[[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[[4-(cyclopropylcarbamoyl)phenyl]methyl-(2-furylmethyl)amino]methyl]-3-nitro-benzamide CAS Name: 4-[[[4-[(cyclopropylamino)-oxomethyl]phenyl]methyl-(2-furanylmethyl)amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]methyl]-3-nitrobenzamide Traditional Name: 4-[[[4-(cyclopropylcarbamoyl)benzyl]-(2-furfuryl)amino]methyl]-3-nitro-benzamide Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)CN(CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])CC4=CC=CO4

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)CN(CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])CC4=CC=CO4

InChI

InChI=1S/C24H24N4O5/c25-23(29)18-7-8-19(22(12-18)28(31)32)14-27(15-21-2-1-11-33-21)13-16-3-5-17(6-4-16)24(30)26-20-9-10-20/h1-8,11-12,20H,9-10,13-15H2,(H2,25,29)(H,26,30)