N-(4-azanyl-1-phenyl-pyrazol-3-yl)-4-[(2-methylpropylamino)methyl]benzamide

Systemtic Name: N-(4-azanyl-1-phenyl-pyrazol-3-yl)-4-[(2-methylpropylamino)methyl]benzamide Openeye Name: N-(4-amino-1-phenyl-pyrazol-3-yl)-4-[(isobutylamino)methyl]benzamide CAS Name: N-(4-amino-1-phenyl-3-pyrazolyl)-4-[(2-methylpropylamino)methyl]benzamide IUPAC Name: N-(4-amino-1-phenylpyrazol-3-yl)-4-[(2-methylpropylamino)methyl]benzamide Traditional Name: N-(4-amino-1-phenyl-pyrazol-3-yl)-4-[(isobutylamino)methyl]benzamide Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CC=C(C=C1)C(=O)NC2=NN(C=C2N)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNCC1=CC=C(C=C1)C(=O)NC2=NN(C=C2N)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O/c1-15(2)12-23-13-16-8-10-17(11-9-16)21(27)24-20-19(22)14-26(25-20)18-6-4-3-5-7-18/h3-11,14-15,23H,12-13,22H2,1-2H3,(H,24,25,27)