3-[3-(4-bromophenyl)-4-[(3-methoxypropylamino)methyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(4-bromophenyl)-4-[(3-methoxypropylamino)methyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(4-bromophenyl)-4-[(3-methoxypropylamino)methyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(4-bromophenyl)-4-[(3-methoxypropylamino)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(4-bromophenyl)-4-[(3-methoxypropylamino)methyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(4-bromophenyl)-4-[(3-methoxypropylamino)methyl]pyrazol-1-yl]propionitrile Formula: C17H21BrN4O MolecularWeight: 377.27884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNCC1=CN(N=C1C2=CC=C(C=C2)Br)CCC#N

Isomeric SMILES

COCCCNCC1=CN(N=C1C2=CC=C(C=C2)Br)CCC#N

InChI

InChI=1S/C17H21BrN4O/c1-23-11-3-9-20-12-15-13-22(10-2-8-19)21-17(15)14-4-6-16(18)7-5-14/h4-7,13,20H,2-3,9-12H2,1H3