N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propyl]-4-nitro-benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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