[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophen-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophen-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-2-thienyl]methanone CAS Name: [4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]-2-thiophenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[4-[(5-methyl-3-nitropyrazol-1-yl)methyl]thiophen-2-yl]methanone Traditional Name: (4-benzylpiperazino)-[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-2-thienyl]methanone Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CSC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CSC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3S/c1-16-11-20(26(28)29)22-25(16)14-18-12-19(30-15-18)21(27)24-9-7-23(8-10-24)13-17-5-3-2-4-6-17/h2-6,11-12,15H,7-10,13-14H2,1H3