5-nitro-1-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-2,3-dione

Systemtic Name: 5-nitro-1-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-2,3-dione Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-nitro-indoline-2,3-dione CAS Name: 5-nitro-1-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]indole-2,3-dione IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-nitroindole-2,3-dione Traditional Name: 1-[2-(4-benzylpiperazino)ethyl]-5-nitro-isatin Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4/c26-20-18-14-17(25(28)29)6-7-19(18)24(21(20)27)13-12-22-8-10-23(11-9-22)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2