N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-[(4-nitrophenyl)amino]butanamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-(4-nitroanilino)butanamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-4-(4-nitroanilino)butanamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-(4-nitroanilino)butanamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-(4-nitroanilino)butyramide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c1-15-22-13-11-20(24-15)16-4-2-5-18(14-16)25-21(27)6-3-12-23-17-7-9-19(10-8-17)26(28)29/h2,4-5,7-11,13-14,23H,3,6,12H2,1H3,(H,25,27)