(4E)-2-(4-nitrophenyl)-4-[1-[(phenylmethyl)amino]ethylidene]-5-propyl-pyrazol-3-one

Systemtic Name: (4E)-2-(4-nitrophenyl)-4-[1-[(phenylmethyl)amino]ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4E)-4-[1-(benzylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: (4E)-2-(4-nitrophenyl)-4-[1-[(phenylmethyl)amino]ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4E)-4-[1-(benzylamino)ethylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: (4E)-4-[1-(benzylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(\C)/NCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-3-7-19-20(15(2)22-14-16-8-5-4-6-9-16)21(26)24(23-19)17-10-12-18(13-11-17)25(27)28/h4-6,8-13,22H,3,7,14H2,1-2H3/b20-15+