N-[5-methyl-2-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: N-[5-methyl-2-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-[5-methyl-2-[4-(3-morpholinopropylcarbamoyl)phenyl]pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[5-methyl-2-[4-[[3-(4-morpholinyl)propylamino]-oxomethyl]phenyl]-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-[5-methyl-2-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]pyrazol-3-yl]-3-nitrobenzamide Traditional Name: N-[5-methyl-2-[4-(3-morpholinopropylcarbamoyl)phenyl]pyrazol-3-yl]-3-nitro-benzamide Formula: C25H28N6O5 MolecularWeight: 492.52702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)NCCCN4CCOCC4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C25H28N6O5/c1-18-16-23(27-25(33)20-4-2-5-22(17-20)31(34)35)30(28-18)21-8-6-19(7-9-21)24(32)26-10-3-11-29-12-14-36-15-13-29/h2,4-9,16-17H,3,10-15H2,1H3,(H,26,32)(H,27,33)