1,5-dimethyl-4-[[4-[(3-methylbutylamino)methyl]phenyl]amino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[[4-[(3-methylbutylamino)methyl]phenyl]amino]-2-phenyl-pyrazol-3-one Openeye Name: 4-[4-[(isopentylamino)methyl]anilino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[4-[(3-methylbutylamino)methyl]anilino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[4-[(3-methylbutylamino)methyl]anilino]-2-phenylpyrazol-3-one Traditional Name: 4-[4-[(isoamylamino)methyl]anilino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C23H30N4O MolecularWeight: 378.5105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=CC=C(C=C3)CNCCC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=CC=C(C=C3)CNCCC(C)C

InChI

InChI=1S/C23H30N4O/c1-17(2)14-15-24-16-19-10-12-20(13-11-19)25-22-18(3)26(4)27(23(22)28)21-8-6-5-7-9-21/h5-13,17,24-25H,14-16H2,1-4H3