N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[[3-(1-imidazolyl)propylamino]-oxomethyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-15-7-8-16(13-19(15)26(29)30)20(27)24-18-6-3-2-5-17(18)21(28)23-9-4-11-25-12-10-22-14-25/h2-3,5-8,10,12-14H,4,9,11H2,1H3,(H,23,28)(H,24,27)