[4-(diphenylmethyl)piperazin-1-yl]-[4-nitro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]-[4-nitro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[3-(1-isopropylpyrazol-4-yl)-4-nitro-phenyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazinyl]-[4-nitro-3-(1-propan-2-yl-4-pyrazolyl)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[4-nitro-3-(1-propan-2-ylpyrazol-4-yl)phenyl]methanone Traditional Name: (4-benzhydrylpiperazino)-[3-(1-isopropylpyrazol-4-yl)-4-nitro-phenyl]methanone Formula: C30H31N5O3 MolecularWeight: 509.59884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C=N1)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H31N5O3/c1-22(2)34-21-26(20-31-34)27-19-25(13-14-28(27)35(37)38)30(36)33-17-15-32(16-18-33)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19-22,29H,15-18H2,1-2H3