N-[(E)-[5-bromanyl-2-oxidanylidene-1-[(4-phenylpiperazin-1-yl)methyl]indol-3-ylidene]amino]-3-cyclohexyl-propanamide

Systemtic Name: N-[(E)-[5-bromanyl-2-oxidanylidene-1-[(4-phenylpiperazin-1-yl)methyl]indol-3-ylidene]amino]-3-cyclohexyl-propanamide Openeye Name: N-[(E)-[5-bromo-2-oxo-1-[(4-phenylpiperazin-1-yl)methyl]indolin-3-ylidene]amino]-3-cyclohexyl-propanamide CAS Name: N-[(E)-[5-bromo-2-oxo-1-[(4-phenyl-1-piperazinyl)methyl]-3-indolylidene]amino]-3-cyclohexylpropanamide IUPAC Name: N-[(E)-[5-bromo-2-oxo-1-[(4-phenylpiperazin-1-yl)methyl]indol-3-ylidene]amino]-3-cyclohexylpropanamide Traditional Name: N-[(E)-[5-bromo-2-keto-1-[(4-phenylpiperazino)methyl]indolin-3-ylidene]amino]-3-cyclohexyl-propionamide Formula: C28H34BrN5O2 MolecularWeight: 552.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CCC(=O)N/N=C/2\C3=C(C=CC(=C3)Br)N(C2=O)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H34BrN5O2/c29-22-12-13-25-24(19-22)27(31-30-26(35)14-11-21-7-3-1-4-8-21)28(36)34(25)20-32-15-17-33(18-16-32)23-9-5-2-6-10-23/h2,5-6,9-10,12-13,19,21H,1,3-4,7-8,11,14-18,20H2,(H,30,35)/b31-27+