[5-ethyl-1-(4-nitrophenyl)pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [5-ethyl-1-(4-nitrophenyl)pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [5-ethyl-1-(4-nitrophenyl)pyrazol-4-yl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [5-ethyl-1-(4-nitrophenyl)-4-pyrazolyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [5-ethyl-1-(4-nitrophenyl)pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [5-ethyl-1-(4-nitrophenyl)pyrazol-4-yl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C22H25N5O3S MolecularWeight: 439.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C22H25N5O3S/c1-2-21-20(15-23-26(21)17-6-8-18(9-7-17)27(29)30)22(28)25-11-4-10-24(12-13-25)16-19-5-3-14-31-19/h3,5-9,14-15H,2,4,10-13,16H2,1H3