N-methyl-4-[(4-nitrophenyl)amino]-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]butanamide

Systemtic Name: N-methyl-4-[(4-nitrophenyl)amino]-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]butanamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4-(4-nitroanilino)butanamide CAS Name: N-methyl-4-(4-nitroanilino)-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]butanamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4-(4-nitroanilino)butanamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4-(4-nitroanilino)butyramide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-25(15-19-14-24-26(17-19)16-18-6-3-2-4-7-18)22(28)8-5-13-23-20-9-11-21(12-10-20)27(29)30/h2-4,6-7,9-12,14,17,23H,5,8,13,15-16H2,1H3