N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(2-nitroanilino)propanamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(2-nitroanilino)propionamide Formula: C22H23N7O3 MolecularWeight: 433.46312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C#N)N

InChI

InChI=1S/C22H23N7O3/c23-15-17-18(27-28(22(17)24)16-7-2-1-3-8-16)10-6-13-26-21(30)12-14-25-19-9-4-5-11-20(19)29(31)32/h1-5,7-9,11,25H,6,10,12-14,24H2,(H,26,30)