1-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-5-bromanyl-indole-2,3-dione

Systemtic Name: 1-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-5-bromanyl-indole-2,3-dione Openeye Name: 1-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]methyl]-5-bromo-indoline-2,3-dione CAS Name: 1-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]methyl]-5-bromoindole-2,3-dione IUPAC Name: 1-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]-5-bromoindole-2,3-dione Traditional Name: 1-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]methyl]-5-bromo-isatin Formula: C21H27BrN4O3 MolecularWeight: 463.36808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)CN3C4=C(C=C(C=C4)Br)C(=O)C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)CN3C4=C(C=C(C=C4)Br)C(=O)C3=O

InChI

InChI=1S/C21H27BrN4O3/c22-16-5-6-18-17(13-16)20(28)21(29)26(18)15-24-11-9-23(10-12-24)14-19(27)25-7-3-1-2-4-8-25/h5-6,13H,1-4,7-12,14-15H2