3-[3-(3-nitrophenyl)-4-[[(phenylmethyl)amino]methyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(3-nitrophenyl)-4-[[(phenylmethyl)amino]methyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(benzylamino)methyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(3-nitrophenyl)-4-[[(phenylmethyl)amino]methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(benzylamino)methyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(benzylamino)methyl]-3-(3-nitrophenyl)pyrazol-1-yl]propionitrile Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C20H19N5O2/c21-10-5-11-24-15-18(14-22-13-16-6-2-1-3-7-16)20(23-24)17-8-4-9-19(12-17)25(26)27/h1-4,6-9,12,15,22H,5,11,13-14H2